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  • 4,5-Methylenedithio-1,3-dithiole-2-thione

  • 4,5-Methylenedithio-1,3-dithiole-2-thione

    Catalog Number
    ACM70800598
    CAS Number
    70800-59-8
    Product Name
    4,5-Methylenedithio-1,3-dithiole-2-thione
    Structure
    Category
    Charge Transfer Complexes; Electronic Materials; Molecular Conductors
    IUPAC Name
    [1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
    Molecular Weight
    210.36
    Molecular Formula
    C4H2S5
    Canonical SMILES
    C1SC2=C(S1)SC(=S)S2
    InChI
    InChI=1S/C4H2S5/c5-4-8-2-3(9-4)7-1-6-2/h1H2
    InChI Key
    NFKGILAHEQYFBG-UHFFFAOYSA-N
    Melting Point
    159 °C
    Purity
    >98.0%(GC)
    Appearance
    Light yellow to Brown powder to crystal
    Storage
    Store under inert gas
    Complexity
    175
    Covalently-Bonded Unit Count
    1
    Exact Mass
    209.876006g/mol
    Formal Charge
    0
    Hazard Statements
    H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.
    Heavy Atom Count
    9
    MDL Number
    MFCD00137884
    Monoisotopic Mass
    209.876006g/mol
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.
    Rotatable Bond Count
    0
    Signal Word
    Danger
    XLogP3
    3.3
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