Thiourea

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  • Identifiers

    CAS number
    62-56-6

    Molecular formula
    CH4N2S

    SMILES
    C(=S)(N)N

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 54.62%
    Sulfurous 35.94%
    Pungent 30.15%
    Fishy 29.35%
    Meaty 28.9%
    Savory 24.35%
    Cheesy 23.65%
    Garlic 22.08%
    Cooked 21.98%
    Ripe 20.03%

     

    Flavor
    Odorless 36.33%
    Mustard 27.34%
    Pungent 27.13%
    Sulfur 24.33%
    Garlic 22.8%
    Mousy 21.88%
    Formyl 21.36%
    Bitter 21.16%
    Rotten 20.52%
    Sulfurous 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    8.95 (weak base)

    Molecular weight
    76.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 349 to 352 °F (NTP, 1992)
    • 176-178 °C
    • 180 °C
    • 182 °C
    • 349-352 °F

    Boiling point

    • Sublimes in vacuum at 302-320 °F (NTP, 1992)
    • Decomposes at boiling point
    • Sublimes in vacuum at 302-320 °F

    Flash point

    • 62.1 ˚C est.

    Solubility expt.

    • >11.4 [ug/mL] (The mean of the results at pH 7.4)
    • 10 to 50 mg/mL at 68 °F (NTP, 1992)
    • In water, 1.42X10+5 mg/L at 25 °C
    • Soluble in water at 25 °C: 1 part in 11
    • Aqueous solubility data in g/L: 0.4676 at 0 °C; 85.07 at 10 °C; 117.5 at 20 °C; 133.9 at 25 °C; 167.4 at 30 °C; 235.5 at 40 °C; 415.2 at 60 °C, 579.8 at 80 °C; 704.1 at 100 °C
    • Soluble in alcohol; sparingly soluble in ether.
    • For more Solubility (Complete) data for THIOUREA (6 total), please visit the HSDB record page.
    • 142 mg/mL at 25 °C
    • Solubility in water: moderate

  • Synonyms

    • THIOUREA
    • Thiocarbamide
    • 62-56-6
    • 2-Thiourea
    • Isothiourea
    • Pseudothiourea
    • Sulfourea
    • Thiuronium
    • Sulourea
    • 2-Thiopseudourea
    • Carbamimidothioic acid
    • Thiocarbonic acid diamide
    • Urea, thio-
    • beta-Thiopseudourea
    • Thiomocovina
    • Urea, 2-thio-
    • Tsizp 34
    • Pseudourea, 2-thio-
    • Thioharnstoff
    • Thiokarbamid
    • USAF EK-497
    • carbonothioic diamide
    • Thiocarbamid
    • RCRA waste number U219
    • Sulfouren
    • Caswell No. 855
    • NSC 5033
    • CCRIS 588
    • aminothioamide
    • GYV9AM2QAG
    • thio-urea
    • UNII-GYV9AM2QAG
    • HSDB 1401
    • 17356-08-0
    • aminothiocarboxamide
    • EINECS 200-543-5
    • H2NC(S)NH2
    • MFCD00008067
    • EPA Pesticide Chemical Code 080201
    • .beta.-Thiopseudourea
    • DTXSID9021348
    • CHEBI:36946
    • AI3-03582
    • NSC-5033
    • (NH2)2CS
    • CHEMBL260876
    • DTXCID101348
    • NSC5033
    • EC 200-543-5
    • THIOUREA (IARC)
    • THIOUREA [IARC]
    • TOU
    • Thiomocovina [Czech]
    • sulfocarbamide
    • RCRA waste no. U219
    • CAS-62-56-6
    • S C (N H2)2
    • PROPYLTHIOURACIL IMPURITY A (EP IMPURITY)
    • PROPYLTHIOURACIL IMPURITY A [EP IMPURITY]
    • THIOUREA, ACS
    • thiopseudourea
    • 2-Thio-Pseudourea
    • Thiocarbonic diamide
    • 2-Thio-Urea
    • beta -thiopseudourea
    • Urea, 2-thio
    • Caswell no 855
    • THIOCARBMATE
    • Thiourea, 99%
    • Sulfourea;Thiocarbamide
    • thiourea; thiocarbamide
    • THIOUREA [HSDB]
    • WLN: ZYZUS
    • THIOUREA [MI]
    • THIOUREA [VANDF]
    • Urea, thio- (8CI)
    • THIOUREA [WHO-DD]
    • Thiourea ACS Reagent Grade
    • Thiourea, LR, >=98%
    • MLS002454451
    • BIDD:ER0582
    • HMS2234E12
    • HMS3369M21
    • BCP27948
    • STR00054
    • Tox21_201873
    • Tox21_302767
    • BDBM50229993
    • STL194300
    • Thiourea, ACS reagent, >=99.0%
    • AKOS000269032
    • AKOS028109302
    • AT44959
    • CCG-207963
    • FT46947
    • UN 2877
    • Thiourea, ReagentPlus(R), >=99.0%
    • NCGC00091199-01
    • NCGC00091199-02
    • NCGC00091199-03
    • NCGC00256530-01
    • NCGC00259422-01
    • Thiourea, >=99.999% (metals basis)
    • BP-31025
    • SMR000857187
    • Thiourea, JIS special grade, >=98.0%
    • Thiourea, p.a., ACS reagent, 99.0%
    • NS00002781
    • T0445
    • T2475
    • T2835
    • EN300-19634
    • 10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1
    • A833853
    • Q528995
    • Thiourea, puriss. p.a., ACS reagent, >=99.0%
    • doi:10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N.1
    • F0001-1650
    • Thiourea, Pharmaceutical Secondary Standard; Certified Reference Material
    • 200-543-5

  • Applications

    Thiourea (CAS 62-56-6) is widely used as an organic synthesis intermediate and building block for guanidine and isothiocyanate derivatives, enabling the manufacture of pharmaceuticals, agrochemicals, and specialty dyes. It also serves as a chelating/complexing agent for metal ions in analytical chemistry and in certain plating and catalyst systems. It is the precursor to thiourea dioxide, which is used as a bleaching agent in textiles and pulp/paper processing. In polymer and plastics chemistry, thiourea derivatives are employed to introduce sulfur-containing functionalities and modify polymer properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.26
    methanol 79.7
    isopropanol 21.65
    water 172.86
    ethyl acetate 18.62
    n-propanol 21.25
    acetone 66.62
    n-butanol 15.54
    acetonitrile 36.2
    DMF 218.83
    toluene 2.02
    isobutanol 14.24
    1,4-dioxane 34.97
    methyl acetate 32.14
    THF 53.82
    2-butanone 33.22
    n-pentanol 13.09
    sec-butanol 14.49
    n-hexane 0.73
    ethylene glycol 59.89
    NMP 83.85
    cyclohexane 0.62
    DMSO 113.24
    n-butyl acetate 13.49
    n-octanol 8.34
    chloroform 5.67
    n-propyl acetate 14.74
    acetic acid 65.93
    dichloromethane 4.55
    cyclohexanone 19.81
    propylene glycol 49.01
    isopropyl acetate 12.12
    DMAc 145.57
    2-ethoxyethanol 46.65
    isopentanol 10.69
    n-heptane 1.25
    ethyl formate 25.0
    1,2-dichloroethane 4.42
    n-hexanol 12.88
    2-methoxyethanol 81.72
    isobutyl acetate 10.07
    tetrachloromethane 2.61
    n-pentyl acetate 10.79
    transcutol 40.45
    n-heptanol 11.1
    ethylbenzene 1.03
    MIBK 11.79
    2-propoxyethanol 49.49
    tert-butanol 21.15
    MTBE 11.4
    2-butoxyethanol 34.66
    propionic acid 34.91
    o-xylene 1.98
    formic acid 98.35
    diethyl ether 11.15
    m-xylene 1.9
    p-xylene 1.67
    chlorobenzene 2.46
    dimethyl carbonate 33.83
    n-octane 0.58
    formamide 84.98
    cyclopentanone 42.48
    2-pentanone 20.61
    anisole 7.51
    cyclopentyl methyl ether 14.3
    gamma-butyrolactone 46.32
    1-methoxy-2-propanol 59.38
    pyridine 14.8
    3-pentanone 16.9
    furfural 48.39
    n-dodecane 0.47
    diethylene glycol 65.86
    diisopropyl ether 3.45
    tert-amyl alcohol 14.21
    acetylacetone 31.1
    n-hexadecane 0.49
    acetophenone 10.83
    methyl propionate 26.23
    isopentyl acetate 9.59
    trichloroethylene 8.24
    n-nonanol 7.7
    cyclohexanol 7.94
    benzyl alcohol 10.21
    2-ethylhexanol 6.07
    isooctanol 7.49
    dipropyl ether 9.21
    1,2-dichlorobenzene 2.34
    ethyl lactate 21.59
    propylene carbonate 24.38
    n-methylformamide 86.34
    2-pentanol 9.47
    n-pentane 0.88
    1-propoxy-2-propanol 33.19
    1-methoxy-2-propyl acetate 22.17
    2-(2-methoxypropoxy) propanol 24.52
    mesitylene 1.41
    ε-caprolactone 18.96
    p-cymene 2.03
    epichlorohydrin 28.57
    1,1,1-trichloroethane 4.85
    2-aminoethanol 50.31
    morpholine-4-carbaldehyde 84.75
    sulfolane 57.69
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 18.7
    n-hexyl acetate 11.46
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 29.48
    sec-butyl acetate 8.01
    tert-butyl acetate 12.38
    decalin 0.36
    glycerin 89.12
    diglyme 55.22
    acrylic acid 45.77
    isopropyl myristate 4.79
    n-butyric acid 25.45
    acetyl acetate 16.11
    di(2-ethylhexyl) phthalate 8.03
    ethyl propionate 13.11
    nitromethane 105.65
    1,2-diethoxyethane 13.2
    benzonitrile 8.27
    trioctyl phosphate 6.68
    1-bromopropane 2.25
    gamma-valerolactone 63.69
    n-decanol 5.85
    triethyl phosphate 7.51
    4-methyl-2-pentanol 6.01
    propionitrile 16.89
    vinylene carbonate 23.25
    1,1,2-trichlorotrifluoroethane 45.94
    DMS 14.11
    cumene 1.11
    2-octanol 6.01
    2-hexanone 14.89
    octyl acetate 8.0
    limonene 2.9
    1,2-dimethoxyethane 56.24
    ethyl orthosilicate 6.78
    tributyl phosphate 6.91
    diacetone alcohol 25.07
    N,N-dimethylaniline 6.9
    acrylonitrile 26.93
    aniline 7.71
    1,3-propanediol 41.31
    bromobenzene 1.41
    dibromomethane 2.66
    1,1,2,2-tetrachloroethane 7.82
    2-methyl-cyclohexyl acetate 8.07
    tetrabutyl urea 10.67
    diisobutyl methanol 3.77
    2-phenylethanol 10.89
    styrene 1.41
    dioctyl adipate 8.39
    dimethyl sulfate 54.19
    ethyl butyrate 10.47
    methyl lactate 42.83
    butyl lactate 16.17
    diethyl carbonate 8.64
    propanediol butyl ether 30.47
    triethyl orthoformate 9.71
    p-tert-butyltoluene 2.25
    methyl 4-tert-butylbenzoate 15.89
    morpholine 36.81
    tert-butylamine 8.93
    n-dodecanol 4.44
    dimethoxymethane 72.15
    ethylene carbonate 18.5
    cyrene 29.83
    2-ethoxyethyl acetate 16.63
    2-ethylhexyl acetate 7.38
    1,2,4-trichlorobenzene 3.9
    4-methylpyridine 11.69
    dibutyl ether 4.53
    2,6-dimethyl-4-heptanol 3.77
    DEF 30.05
    dimethyl isosorbide 28.99
    tetrachloroethylene 6.31
    eugenol 20.98
    triacetin 17.52
    span 80 21.75
    1,4-butanediol 26.82
    1,1-dichloroethane 4.96
    2-methyl-1-pentanol 8.19
    methyl formate 73.31
    2-methyl-1-butanol 10.75
    n-decane 0.72
    butyronitrile 12.38
    3,7-dimethyl-1-octanol 5.65
    1-chlorooctane 2.03
    1-chlorotetradecane 1.03
    n-nonane 0.67
    undecane 0.56
    tert-butylcyclohexane 0.44
    cyclooctane 0.35
    cyclopentanol 16.43
    tetrahydropyran 13.46
    tert-amyl methyl ether 8.99
    2,5,8-trioxanonane 40.0
    1-hexene 1.83
    2-isopropoxyethanol 27.89
    2,2,2-trifluoroethanol 55.27
    methyl butyrate 16.74

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction