Guanylcystamine hydrobromide

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  • Identifiers

    CAS number
    15086-17-6

    Molecular formula
    C6H18Br2N6S2

    SMILES
    C(CSSCCN=C(N)N)NC(=N)N.Br.Br

    Safety labels

  • Odor profile

    Fragrance
    Meaty 47.94%
    Savory 41.21%
    Fishy 38.04%
    Odorless 35.7%
    Cooked 33.63%
    Sulfurous 31.53%
    Roasted 31.15%
    Pungent 27.41%
    Cheesy 26.02%
    Onion 22.98%

     

    Flavor
    Roasted 30.03%
    Sulfurous 28.85%
    Cooked 28.45%
    Bitter 26.32%
    Sulfury 25.71%
    Onion 24.92%
    Odorless 23.2%
    Alliaceous 22.92%
    Bland 22.38%
    Meaty 21.97%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.2 (neutral)

    Molecular weight
    398.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    498°C

    Flash point

    • 208.01 ˚C est.

  • Synonyms

    • Guanylcystamine hydrobromide
    • Guanylcystamine dihydrobromide
    • PF69H864I0
    • 15086-17-6
    • Guanidine, 1,1'-(dithiodiethylene)di-, dihydrobromide
    • Guanidine, N,N'''-(dithiodi-2,1-ethanediyl)bis-, dihydrobromide
    • 1,1'-(Disulfanediylbis(ethane-2,1-diyl))diguanidine dihydrobromide
    • GUANYLCYSTAMINE HBR
    • UNII-PF69H864I0
    • SCHEMBL1321518
    • (Dithiodiethylene)diguanidine dihydrobromide
    • Di(2-guanidinoethyl)disulfide dihydrobromide
    • Q27286519
    • N,N'''-(Dithiodi-2,1-ethanediyl)bisguanidine dihydrobromide
    • GUANIDINE, N,N'''-(DITHIODI-2,1-ETHANEDIYL)BIS-, HYDROBROMIDE (1:2)
    • 15086-17-6

  • Applications

    Guanylcystamine hydrobromide (CAS 15086-17-6) is primarily used as a guanylation-ready building block in organic synthesis, enabling the introduction of guanidinium groups into intermediates for pharmaceutical research. In polymer and materials science it can function as a disulfide-containing crosslinker or as a precursor to guanidine-functional monomers, supporting reversible network formation and enhanced ionic interactions. In coatings and inks, it can be employed to introduce guanidinium functionality to improve adhesion and binding on surfaces. In research contexts, it is used as a reagent for synthesizing guanidine-containing frameworks and for linking in bioconjugation schemes. It may also be evaluated as a synthetic building block in agrochemical or agricultural chemistry research, depending on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.77
    methanol 28.86
    isopropanol 2.11
    water 49.13
    ethyl acetate 2.2
    n-propanol 3.44
    acetone 6.52
    n-butanol 1.65
    acetonitrile 2.19
    DMF 151.98
    toluene 0.76
    isobutanol 1.67
    1,4-dioxane 3.66
    methyl acetate 3.46
    THF 15.11
    2-butanone 3.62
    n-pentanol 1.35
    sec-butanol 1.46
    n-hexane 0.11
    ethylene glycol 22.24
    NMP 110.56
    cyclohexane 0.22
    DMSO 157.17
    n-butyl acetate 2.08
    n-octanol 0.64
    chloroform 2.78
    n-propyl acetate 1.95
    acetic acid 52.46
    dichloromethane 2.46
    cyclohexanone 7.74
    propylene glycol 20.76
    isopropyl acetate 1.61
    DMAc 100.3
    2-ethoxyethanol 16.09
    isopentanol 1.12
    n-heptane 0.14
    ethyl formate 7.39
    1,2-dichloroethane 1.49
    n-hexanol 1.27
    2-methoxyethanol 43.09
    isobutyl acetate 1.23
    tetrachloromethane 0.89
    n-pentyl acetate 1.56
    transcutol 21.49
    n-heptanol 1.04
    ethylbenzene 0.25
    MIBK 1.57
    2-propoxyethanol 11.66
    tert-butanol 1.73
    MTBE 0.72
    2-butoxyethanol 7.1
    propionic acid 12.08
    o-xylene 0.72
    formic acid 141.91
    diethyl ether 0.69
    m-xylene 0.53
    p-xylene 0.48
    chlorobenzene 1.07
    dimethyl carbonate 8.08
    n-octane 0.06
    formamide 135.31
    cyclopentanone 21.51
    2-pentanone 2.44
    anisole 1.36
    cyclopentyl methyl ether 3.71
    gamma-butyrolactone 31.84
    1-methoxy-2-propanol 20.08
    pyridine 6.8
    3-pentanone 2.34
    furfural 53.13
    n-dodecane 0.04
    diethylene glycol 22.63
    diisopropyl ether 0.25
    tert-amyl alcohol 1.57
    acetylacetone 7.14
    n-hexadecane 0.04
    acetophenone 3.3
    methyl propionate 4.75
    isopentyl acetate 1.74
    trichloroethylene 4.5
    n-nonanol 0.65
    cyclohexanol 1.77
    benzyl alcohol 3.23
    2-ethylhexanol 0.73
    isooctanol 0.72
    dipropyl ether 1.07
    1,2-dichlorobenzene 1.27
    ethyl lactate 6.27
    propylene carbonate 15.55
    n-methylformamide 63.73
    2-pentanol 0.73
    n-pentane 0.1
    1-propoxy-2-propanol 6.52
    1-methoxy-2-propyl acetate 6.03
    2-(2-methoxypropoxy) propanol 7.87
    mesitylene 0.37
    ε-caprolactone 8.16
    p-cymene 0.45
    epichlorohydrin 11.92
    1,1,1-trichloroethane 1.21
    2-aminoethanol 25.61
    morpholine-4-carbaldehyde 64.4
    sulfolane 79.96
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 3.84
    n-hexyl acetate 1.46
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 8.93
    sec-butyl acetate 1.02
    tert-butyl acetate 1.99
    decalin 0.08
    glycerin 63.99
    diglyme 20.79
    acrylic acid 23.33
    isopropyl myristate 0.53
    n-butyric acid 9.41
    acetyl acetate 3.13
    di(2-ethylhexyl) phthalate 2.2
    ethyl propionate 1.81
    nitromethane 65.75
    1,2-diethoxyethane 1.9
    benzonitrile 2.37
    trioctyl phosphate 1.23
    1-bromopropane 0.48
    gamma-valerolactone 45.56
    n-decanol 0.46
    triethyl phosphate 2.39
    4-methyl-2-pentanol 0.48
    propionitrile 1.4
    vinylene carbonate 16.27
    1,1,2-trichlorotrifluoroethane 50.65
    DMS 3.32
    cumene 0.23
    2-octanol 0.48
    2-hexanone 1.64
    octyl acetate 0.93
    limonene 0.59
    1,2-dimethoxyethane 12.73
    ethyl orthosilicate 1.97
    tributyl phosphate 1.53
    diacetone alcohol 6.58
    N,N-dimethylaniline 1.73
    acrylonitrile 3.93
    aniline 3.2
    1,3-propanediol 15.18
    bromobenzene 0.73
    dibromomethane 1.16
    1,1,2,2-tetrachloroethane 4.24
    2-methyl-cyclohexyl acetate 2.27
    tetrabutyl urea 2.65
    diisobutyl methanol 0.43
    2-phenylethanol 2.46
    styrene 0.39
    dioctyl adipate 1.72
    dimethyl sulfate 28.86
    ethyl butyrate 2.23
    methyl lactate 18.81
    butyl lactate 4.66
    diethyl carbonate 1.98
    propanediol butyl ether 8.95
    triethyl orthoformate 2.64
    p-tert-butyltoluene 0.43
    methyl 4-tert-butylbenzoate 5.64
    morpholine 8.58
    tert-butylamine 0.61
    n-dodecanol 0.34
    dimethoxymethane 19.09
    ethylene carbonate 9.22
    cyrene 18.95
    2-ethoxyethyl acetate 3.54
    2-ethylhexyl acetate 1.37
    1,2,4-trichlorobenzene 2.18
    4-methylpyridine 4.74
    dibutyl ether 0.42
    2,6-dimethyl-4-heptanol 0.43
    DEF 9.85
    dimethyl isosorbide 16.73
    tetrachloroethylene 3.83
    eugenol 7.73
    triacetin 4.95
    span 80 6.61
    1,4-butanediol 6.79
    1,1-dichloroethane 0.87
    2-methyl-1-pentanol 0.94
    methyl formate 42.9
    2-methyl-1-butanol 1.24
    n-decane 0.06
    butyronitrile 1.18
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.2
    1-chlorotetradecane 0.09
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.06
    cyclooctane 0.1
    cyclopentanol 4.44
    tetrahydropyran 1.87
    tert-amyl methyl ether 0.83
    2,5,8-trioxanonane 15.95
    1-hexene 0.26
    2-isopropoxyethanol 6.2
    2,2,2-trifluoroethanol 33.83
    methyl butyrate 3.17

    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