Methylene bis(thiocyanate)

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  • Identifiers

    CAS number
    6317-18-6

    Molecular formula
    C3H2N2S2

    SMILES
    C(SC#N)SC#N

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 63.02%
    Onion 48.52%
    Garlic 45.76%
    Meaty 41.07%
    Roasted 34.76%
    Pungent 34.71%
    Alliaceous 33.09%
    Cooked 31.02%
    Savory 30.23%
    Burnt 29.0%

     

    Flavor
    Bitter 50.34%
    Roasted 19.82%
    Sulfur 19.62%
    Nitrile 19.35%
    Scallion 19.06%
    Odorless 18.82%
    Cooked 18.28%
    Taco 18.16%
    Bland 17.78%
    Rotten 17.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.36 (weak acid)

    Molecular weight
    130.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    313°C

    Melting point expt.

    • 221 to 225 °F (NTP, 1992)
    • 105-107 °C

    Flash point

    • 115.78 ˚C est.

    Solubility expt.

    • Decomposes (NTP, 1992)
    • Greater than 100 mg/ml in DMSO at 20 °C. 10-50 mg/ml in 95% ethanol at 20 °C. Greater than 100 mg/ml in acetone at 20 °C.
    • Solubility in water: none

  • Synonyms

    • Methylene dithiocyanate
    • 6317-18-6
    • Methylene bis(thiocyanate)
    • Proxel MB
    • Methylenedirhodanide
    • Thiocyanic acid, methylene ester
    • Methylenedirhodanid
    • Nalfloc N 206
    • Dithiocyanatomethane
    • METHYLENE THIOCYANATE
    • Methylendirhodanid
    • methylenebisthiocyanate
    • Methylendithiokyanat
    • Methylenebis(thiocyanate)
    • Slimicide MC
    • Antiblu 3737
    • N-948 Biocide
    • V 709
    • Busan 110
    • DTXSID8025599
    • K1QS9QOS1J
    • CP 17879
    • NSC-40464
    • DTXCID805599
    • CHEBI:134614
    • {[(cyanosulfanyl)methyl]sulfanyl}carbonitrile
    • (((cyanosulfanyl)methyl)sulfanyl)carbonitrile
    • RefChem:818592
    • 228-652-3
    • Methylenedithiocyanate
    • thiocyanatomethyl thiocyanate
    • Methane, dithiocyanato-
    • Nalco D-1994
    • NSC 40464
    • Methylene Bisthiocyanate
    • MFCD00001833
    • Thiocyanic acid, C,C'-methylene ester
    • Caswell No. 565
    • Methylendirhodanid [Czech]
    • Methylendithiokyanat [Czech]
    • Methylenedirhodanid [German]
    • CCRIS 636
    • CAS-6317-18-6
    • C3H2N2S2
    • HSDB 4497
    • EINECS 228-652-3
    • UNII-K1QS9QOS1J
    • EPA Pesticide Chemical Code 068102
    • BRN 1743370
    • Tolcide MBT
    • methylene bis thiocyanate
    • WLN: NCS1SCN
    • Amerstat 282 (Salt/Mix)
    • SCHEMBL20931
    • 3-03-00-00288 (Beilstein Handbook Reference)
    • CH2(SCN)2
    • MLS002454417
    • SCHEMBL1724327
    • CHEMBL1524617
    • SCHEMBL28665838
    • Methylene ester of Thiocyanic acid
    • NSC40464
    • METHYLENE THIOCYANATE [HSDB]
    • Tox21_202325
    • Tox21_301058
    • AKOS015915319
    • thiocyanic acid thiocyanatomethyl ester
    • FM07826
    • MSK158192-100A
    • MSK158192-1000A
    • NCGC00091525-01
    • NCGC00091525-02
    • NCGC00091525-03
    • NCGC00091525-04
    • NCGC00091525-05
    • NCGC00091525-06
    • NCGC00091525-07
    • NCGC00254960-01
    • NCGC00259874-01
    • AS-11804
    • SMR000778018
    • DB-054418
    • M1020
    • NS00004687
    • D91426
    • A834251
    • Q1963090
    • InChI=1/C3H2N2S2/c4-1-6-3-7-2-5/h3H
    • Methylene dithiocyanate Solution in Acetonitrile, 1000ug/mL
    • Methylene dithiocyanate Solution in Acetonitrile, 100ug/mL
    • 6317-18-6

  • Applications

    Methylene bis(thiocyanate) (CAS 6317-18-6) is a difunctional reagent used as a building block in organic synthesis and as a reactive crosslinking agent in polymers and coating formulations. In industry it serves as an intermediate to prepare thiourea and dithiocarbamate derivatives and as a precursor for specialty monomers used in adhesives, coatings, and plastics. It can function as a crosslinker to tailor the mechanical and thermal properties of resins and elastomers, and is evaluated for use in resin and adhesive systems under appropriate handling and regulatory controls. Additionally, it may be utilized as a synthetic intermediate toward agrochemical or pharmaceutical intermediates, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.41
    methanol 62.25
    isopropanol 20.96
    water 9.51
    ethyl acetate 50.98
    n-propanol 24.28
    acetone 135.11
    n-butanol 19.6
    acetonitrile 67.69
    DMF 328.6
    toluene 39.88
    isobutanol 17.38
    1,4-dioxane 126.81
    methyl acetate 77.29
    THF 162.53
    2-butanone 72.23
    n-pentanol 21.15
    sec-butanol 17.67
    n-hexane 6.54
    ethylene glycol 40.61
    NMP 377.01
    cyclohexane 10.86
    DMSO 330.86
    n-butyl acetate 57.77
    n-octanol 28.52
    chloroform 106.17
    n-propyl acetate 54.68
    acetic acid 106.84
    dichloromethane 106.74
    cyclohexanone 122.86
    propylene glycol 25.86
    isopropyl acetate 39.54
    DMAc 230.32
    2-ethoxyethanol 60.46
    isopentanol 17.4
    n-heptane 11.4
    ethyl formate 61.95
    1,2-dichloroethane 82.0
    n-hexanol 26.02
    2-methoxyethanol 84.26
    isobutyl acetate 39.82
    tetrachloromethane 25.63
    n-pentyl acetate 55.06
    transcutol 195.43
    n-heptanol 25.14
    ethylbenzene 26.22
    MIBK 40.34
    2-propoxyethanol 66.17
    tert-butanol 25.11
    MTBE 29.73
    2-butoxyethanol 60.74
    propionic acid 54.99
    o-xylene 34.98
    formic acid 87.52
    diethyl ether 34.71
    m-xylene 32.76
    p-xylene 35.53
    chlorobenzene 83.5
    dimethyl carbonate 66.85
    n-octane 6.74
    formamide 135.86
    cyclopentanone 182.38
    2-pentanone 55.24
    anisole 69.38
    cyclopentyl methyl ether 66.39
    gamma-butyrolactone 212.97
    1-methoxy-2-propanol 57.92
    pyridine 133.09
    3-pentanone 53.58
    furfural 292.2
    n-dodecane 6.51
    diethylene glycol 75.28
    diisopropyl ether 18.42
    tert-amyl alcohol 21.33
    acetylacetone 121.35
    n-hexadecane 7.3
    acetophenone 96.79
    methyl propionate 57.72
    isopentyl acetate 48.33
    trichloroethylene 171.41
    n-nonanol 27.4
    cyclohexanol 28.16
    benzyl alcohol 58.21
    2-ethylhexanol 24.5
    isooctanol 21.97
    dipropyl ether 41.57
    1,2-dichlorobenzene 94.96
    ethyl lactate 40.71
    propylene carbonate 114.94
    n-methylformamide 129.58
    2-pentanol 15.03
    n-pentane 5.86
    1-propoxy-2-propanol 54.24
    1-methoxy-2-propyl acetate 71.97
    2-(2-methoxypropoxy) propanol 70.83
    mesitylene 26.58
    ε-caprolactone 101.81
    p-cymene 28.58
    epichlorohydrin 146.23
    1,1,1-trichloroethane 66.5
    2-aminoethanol 37.07
    morpholine-4-carbaldehyde 267.67
    sulfolane 320.09
    2,2,4-trimethylpentane 4.31
    2-methyltetrahydrofuran 80.4
    n-hexyl acetate 61.88
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 85.6
    sec-butyl acetate 37.38
    tert-butyl acetate 49.76
    decalin 8.41
    glycerin 53.89
    diglyme 187.04
    acrylic acid 88.07
    isopropyl myristate 36.89
    n-butyric acid 46.68
    acetyl acetate 66.21
    di(2-ethylhexyl) phthalate 45.24
    ethyl propionate 43.7
    nitromethane 239.3
    1,2-diethoxyethane 80.48
    benzonitrile 92.8
    trioctyl phosphate 32.25
    1-bromopropane 31.99
    gamma-valerolactone 225.55
    n-decanol 22.71
    triethyl phosphate 38.78
    4-methyl-2-pentanol 13.03
    propionitrile 38.99
    vinylene carbonate 134.49
    1,1,2-trichlorotrifluoroethane 163.45
    DMS 86.89
    cumene 22.39
    2-octanol 20.45
    2-hexanone 55.72
    octyl acetate 43.84
    limonene 37.02
    1,2-dimethoxyethane 111.73
    ethyl orthosilicate 35.39
    tributyl phosphate 37.18
    diacetone alcohol 54.3
    N,N-dimethylaniline 63.99
    acrylonitrile 77.68
    aniline 56.2
    1,3-propanediol 35.97
    bromobenzene 79.73
    dibromomethane 65.29
    1,1,2,2-tetrachloroethane 130.16
    2-methyl-cyclohexyl acetate 51.35
    tetrabutyl urea 56.73
    diisobutyl methanol 20.79
    2-phenylethanol 53.94
    styrene 39.24
    dioctyl adipate 60.42
    dimethyl sulfate 150.32
    ethyl butyrate 52.44
    methyl lactate 57.67
    butyl lactate 50.69
    diethyl carbonate 42.4
    propanediol butyl ether 58.71
    triethyl orthoformate 45.01
    p-tert-butyltoluene 27.62
    methyl 4-tert-butylbenzoate 84.66
    morpholine 102.66
    tert-butylamine 17.83
    n-dodecanol 19.89
    dimethoxymethane 110.46
    ethylene carbonate 90.21
    cyrene 100.33
    2-ethoxyethyl acetate 87.03
    2-ethylhexyl acetate 43.75
    1,2,4-trichlorobenzene 111.7
    4-methylpyridine 111.01
    dibutyl ether 37.79
    2,6-dimethyl-4-heptanol 20.79
    DEF 89.4
    dimethyl isosorbide 137.4
    tetrachloroethylene 108.69
    eugenol 92.62
    triacetin 109.73
    span 80 70.17
    1,4-butanediol 25.31
    1,1-dichloroethane 54.12
    2-methyl-1-pentanol 18.93
    methyl formate 131.58
    2-methyl-1-butanol 16.3
    n-decane 9.14
    butyronitrile 35.92
    3,7-dimethyl-1-octanol 26.41
    1-chlorooctane 24.83
    1-chlorotetradecane 14.93
    n-nonane 8.62
    undecane 7.45
    tert-butylcyclohexane 7.23
    cyclooctane 5.99
    cyclopentanol 40.88
    tetrahydropyran 63.86
    tert-amyl methyl ether 27.85
    2,5,8-trioxanonane 141.21
    1-hexene 15.7
    2-isopropoxyethanol 46.84
    2,2,2-trifluoroethanol 77.73
    methyl butyrate 57.88

    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