4,5-Bis(methylthio)-1,3-dithiol-2-one

• CAS: 61485-46-9
• Catalog Number: ACM61485469
• Category: Other Products
• Molecular Weight: 210.34
• Molecular Formula: C5H6OS4
• IUPAC Name: 4,5-bis(methylsulfanyl)-1,3-dithiol-2-one
• Canonical SMILES: CSC1=C(SC(=O)S1)SC
• InChI: InChI=1S/C5H6OS4/c1-7-3-4(8-2)10-5(6)9-3/h1-2H3
• InChI Key: ZXNVEXYJVODARP-UHFFFAOYSA-N
• Melting Point: 60 °C
• Appearance: Light orange to Yellow to Green powder to crystal
• Storage: Store under inert gas
• Complexity: 168
• Condition To Avoid: Light Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 209.93015g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.H318 : Causes serious eye damage.
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD00137889
• Monoisotopic Mass: 209.93015g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.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.
• Rotatable Bond Count: 2
• Signal Word: Danger
• XLogP3: 2.8