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

• CAS: 7396-41-0
• Catalog Number: ACM7396410
• Category: Other Products
• Molecular Weight: 250.30
• Molecular Formula: C7H6O4S3
• 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
• 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
• Appearance: Light yellow to Brown powder to crystal
• Storage: Store under inert gas
• Complexity: 304
• Condition To Avoid: Light Sensitive,Moisture Sensitive
• 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.
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• 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