Diphenylthiourea

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  • Identifiers

    CAS number
    102-08-9

    Molecular formula
    C13H12N2S

    SMILES
    C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 42.49%
    Cheesy 37.87%
    Meaty 37.81%
    Sulfurous 33.39%
    Ripe 32.48%
    Cooked 31.59%
    Savory 30.09%
    Grape 29.13%
    Tropical 25.93%
    Burnt 25.23%

     

    Flavor
    Bitter 32.88%
    Mild 30.54%
    Odorless 24.08%
    Nitrile 21.64%
    Moth ball 20.16%
    Fruity 20.09%
    Honeysuckle 19.87%
    Scallion 19.77%
    Naphthelene 19.63%
    Very strong 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.5 (weak base)

    Molecular weight
    228.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 309 °F (NTP, 1992)
    • 154 °C

    Boiling point

    • Decomposes (NTP, 1992)
    • BP: DECOMP

    Flash point

    • 175.24 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 66 °F (NTP, 1992)
    • ALMOST INSOL IN WATER; FREELY SOL IN ALC, ETHER
    • VERY SOL IN CHLOROFORM & OLIVE OIL

  • Synonyms

    • Thiocarbanilide
    • 102-08-9
    • N,N'-DIPHENYLTHIOUREA
    • 1,3-Diphenyl-2-thiourea
    • Diphenylthiourea
    • Thiourea, N,N'-diphenyl-
    • Sulfocarbanilide
    • Stabilisator C
    • sym-Diphenylthiourea
    • Rhenocure CA
    • Vulkacit CA
    • Nocceler C
    • s-Diphenylthiocarbamide
    • Carbanilide, thio-
    • Thiokarbanilid
    • USAF EK-245
    • N,N'-Diphenylthiocarbamide
    • DPTU
    • Urea, 1,3-diphenyl-2-thio-
    • DTXSID4026139
    • 9YCB5VR86Z
    • NSC-28134
    • DTXCID306139
    • CHEBI:138412
    • RefChem:821933
    • 203-004-2
    • 1,3-Diphenylthiourea
    • Thiourea, s-diphenyl-
    • Thiourea, sym-diphenyl-
    • MFCD00004921
    • 2-Fenylotiomocznik
    • 1,3-Difenylthiomocovina
    • s-Diphenylthiourea
    • NSC 28134
    • CHEMBL275260
    • DFT
    • N,N inverted exclamation marka-Diphenylthiourea
    • Urea,3-diphenyl-2-thio-
    • WLN: SUYMR & MR
    • bis(phenylamino)methane-1-thione
    • Thiokarbanilid [Czech]
    • Diphenylthiourea (VAN)
    • 2-Fenylotiomocznik [Polish]
    • CCRIS 5941
    • HSDB 2758
    • 1,3-Difenylthiomocovina [Czech]
    • 1,3-diphenylisothiourea
    • EINECS 203-004-2
    • UNII-9YCB5VR86Z
    • Thiocarbanilid
    • AI3-00852
    • Diphenylsulfourea
    • Stabilizer C
    • syn-Diphenylthiourea
    • Diphenylthioharnstoff
    • Urea, diphenylthio-
    • 1,3-diphenyl thiourea
    • N,N'-Diphenylsulfourea
    • 1,3-Diphenyl-thiourea
    • N,N-sym-Diphenylthiourea
    • Maybridge1_001676
    • EC 203-004-2
    • SCHEMBL132620
    • N,N'-Diphenylthiourea, 98%
    • NSC686
    • orb3022803
    • SCHEMBL4050842
    • SCHEMBL11116508
    • HMS546E04
    • NSC-686
    • SYM-DIPHENYLTHIOUREA [MI]
    • N,N'-diphenylcarbamimidothioic acid
    • BB_SC-02904
    • NSC28134
    • STR00839
    • Tox21_200269
    • BDBM50356174
    • EBC-04195
    • MSK001864
    • SBB058080
    • STK391325
    • STL477533
    • N,N'-DIPHENYLTHIOUREA [HSDB]
    • AKOS000119990
    • CCG-235524
    • CS-W012992
    • FT34618
    • HY-W012276
    • SB80369
    • NCGC00091646-01
    • NCGC00091646-02
    • NCGC00257823-01
    • CAS-102-08-9
    • SY048913
    • NS00001772
    • ST45139230
    • T0197
    • EN300-16047
    • E79450
    • F018646
    • SR-01000398108
    • Q7784651
    • SR-01000398108-1
    • Z45796174
    • F0020-1836
    • InChI=1/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16
    • 102-08-9

  • Applications

    Diphenylthiourea (CAS 102-08-9) is primarily used as an intermediate in organic synthesis and as a building block for thiourea-containing compounds. In industry, it is commonly evaluated as a precursor for pharmaceuticals and agrochemicals, as well as for dyes and pigments. The compound also appears as a reagent or starting material in various organic transformations in R&D and manufacturing contexts, and, in some cases, as a component in organocatalysis or as a ligand. Additionally, it can be explored as a processing additive or crosslinking modifier in specialty polymers and coatings formulations, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.56
    methanol 15.42
    isopropanol 5.26
    water 0.02
    ethyl acetate 26.07
    n-propanol 7.69
    acetone 90.32
    n-butanol 6.64
    acetonitrile 20.39
    DMF 392.0
    toluene 5.74
    isobutanol 4.55
    1,4-dioxane 63.7
    methyl acetate 32.33
    THF 302.75
    2-butanone 51.36
    n-pentanol 9.04
    sec-butanol 5.04
    n-hexane 0.62
    ethylene glycol 4.16
    NMP 192.66
    cyclohexane 0.67
    DMSO 291.81
    n-butyl acetate 25.66
    n-octanol 7.66
    chloroform 66.93
    n-propyl acetate 24.79
    acetic acid 34.32
    dichloromethane 46.49
    cyclohexanone 69.08
    propylene glycol 9.28
    isopropyl acetate 14.57
    DMAc 293.45
    2-ethoxyethanol 26.32
    isopentanol 6.8
    n-heptane 1.69
    ethyl formate 24.26
    1,2-dichloroethane 38.05
    n-hexanol 11.46
    2-methoxyethanol 44.24
    isobutyl acetate 18.75
    tetrachloromethane 2.42
    n-pentyl acetate 15.27
    transcutol 78.13
    n-heptanol 8.23
    ethylbenzene 4.82
    MIBK 19.16
    2-propoxyethanol 36.89
    tert-butanol 7.83
    MTBE 9.97
    2-butoxyethanol 23.87
    propionic acid 18.94
    o-xylene 4.28
    formic acid 9.29
    diethyl ether 12.86
    m-xylene 4.11
    p-xylene 7.1
    chlorobenzene 20.26
    dimethyl carbonate 33.61
    n-octane 0.8
    formamide 21.73
    cyclopentanone 197.22
    2-pentanone 32.65
    anisole 25.37
    cyclopentyl methyl ether 38.35
    gamma-butyrolactone 180.48
    1-methoxy-2-propanol 36.27
    pyridine 68.7
    3-pentanone 29.67
    furfural 115.58
    n-dodecane 1.05
    diethylene glycol 25.69
    diisopropyl ether 3.67
    tert-amyl alcohol 6.73
    acetylacetone 56.02
    n-hexadecane 1.18
    acetophenone 30.19
    methyl propionate 34.83
    isopentyl acetate 22.59
    trichloroethylene 95.63
    n-nonanol 8.94
    cyclohexanol 7.41
    benzyl alcohol 19.11
    2-ethylhexanol 10.61
    isooctanol 7.59
    dipropyl ether 19.85
    1,2-dichlorobenzene 19.43
    ethyl lactate 20.05
    propylene carbonate 65.51
    n-methylformamide 51.97
    2-pentanol 4.45
    n-pentane 0.34
    1-propoxy-2-propanol 30.44
    1-methoxy-2-propyl acetate 35.63
    2-(2-methoxypropoxy) propanol 32.1
    mesitylene 2.82
    ε-caprolactone 49.17
    p-cymene 6.53
    epichlorohydrin 138.7
    1,1,1-trichloroethane 20.35
    2-aminoethanol 8.51
    morpholine-4-carbaldehyde 120.76
    sulfolane 194.98
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 58.57
    n-hexyl acetate 18.85
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 36.61
    sec-butyl acetate 15.5
    tert-butyl acetate 17.18
    decalin 1.03
    glycerin 18.72
    diglyme 73.34
    acrylic acid 24.04
    isopropyl myristate 12.02
    n-butyric acid 23.84
    acetyl acetate 22.5
    di(2-ethylhexyl) phthalate 14.54
    ethyl propionate 23.04
    nitromethane 103.7
    1,2-diethoxyethane 27.81
    benzonitrile 24.85
    trioctyl phosphate 9.95
    1-bromopropane 12.49
    gamma-valerolactone 159.94
    n-decanol 7.51
    triethyl phosphate 16.5
    4-methyl-2-pentanol 4.69
    propionitrile 15.93
    vinylene carbonate 54.75
    1,1,2-trichlorotrifluoroethane 78.46
    DMS 27.68
    cumene 4.26
    2-octanol 5.21
    2-hexanone 27.2
    octyl acetate 14.87
    limonene 9.04
    1,2-dimethoxyethane 71.17
    ethyl orthosilicate 15.02
    tributyl phosphate 12.11
    diacetone alcohol 25.39
    N,N-dimethylaniline 17.9
    acrylonitrile 28.46
    aniline 15.29
    1,3-propanediol 10.9
    bromobenzene 16.26
    dibromomethane 24.17
    1,1,2,2-tetrachloroethane 75.84
    2-methyl-cyclohexyl acetate 22.39
    tetrabutyl urea 18.89
    diisobutyl methanol 7.19
    2-phenylethanol 18.34
    styrene 7.42
    dioctyl adipate 21.27
    dimethyl sulfate 69.5
    ethyl butyrate 24.69
    methyl lactate 29.72
    butyl lactate 18.83
    diethyl carbonate 19.08
    propanediol butyl ether 20.74
    triethyl orthoformate 21.2
    p-tert-butyltoluene 6.32
    methyl 4-tert-butylbenzoate 27.89
    morpholine 72.94
    tert-butylamine 3.9
    n-dodecanol 6.41
    dimethoxymethane 100.32
    ethylene carbonate 39.83
    cyrene 40.89
    2-ethoxyethyl acetate 25.74
    2-ethylhexyl acetate 19.58
    1,2,4-trichlorobenzene 25.66
    4-methylpyridine 41.82
    dibutyl ether 13.89
    2,6-dimethyl-4-heptanol 7.19
    DEF 46.94
    dimethyl isosorbide 59.13
    tetrachloroethylene 32.99
    eugenol 27.87
    triacetin 30.72
    span 80 26.89
    1,4-butanediol 5.91
    1,1-dichloroethane 23.27
    2-methyl-1-pentanol 8.8
    methyl formate 50.52
    2-methyl-1-butanol 5.74
    n-decane 1.48
    butyronitrile 14.95
    3,7-dimethyl-1-octanol 8.78
    1-chlorooctane 6.35
    1-chlorotetradecane 3.47
    n-nonane 1.19
    undecane 1.21
    tert-butylcyclohexane 1.04
    cyclooctane 0.31
    cyclopentanol 17.07
    tetrahydropyran 45.07
    tert-amyl methyl ether 10.32
    2,5,8-trioxanonane 57.4
    1-hexene 4.31
    2-isopropoxyethanol 18.94
    2,2,2-trifluoroethanol 13.28
    methyl butyrate 31.56

    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