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  • Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate

  • Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate

    Catalog Number
    ACM7396410
    CAS Number
    7396-41-0
    Product Name
    Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate
    Structure
    Category
    Charge Transfer Complexes; Electronic Materials; Molecular Conductors
    Synonyms
    Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate
    1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester
    IUPAC Name
    dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
    Molecular Weight
    250.30
    Molecular Formula
    C7H6O4S3
    Canonical SMILES
    COC(=O)C1=C(SC(=S)S1)C(=O)OC
    InChI
    InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
    InChI Key
    UZKKFHMMXWDIPD-UHFFFAOYSA-N
    Melting Point
    88 °C
    Purity
    >98.0%(GC)
    Appearance
    Light yellow to Brown powder to crystal
    Storage
    Store under inert gas
    Complexity
    304
    Covalently-Bonded Unit Count
    1
    Exact Mass
    249.942822g/mol
    Formal Charge
    0
    Hazard Statements
    H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
    Heavy Atom Count
    14
    MDL Number
    MFCD00142532
    Monoisotopic Mass
    249.942822g/mol
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
    Rotatable Bond Count
    4
    Signal Word
    Danger
    XLogP3
    2.1
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