1,3,5-Benzenetrithiol

• Catalog Number: ACM-MO-38004590
• Product Name: 1,3,5-Benzenetrithiol
• CAS: 38004-59-0
• Category: Heterocyclic Organic Compound
• Synonyms: 1,3,5-Trimercaptobenzene
• IUPAC Name: benzene-1,3,5-trithiol
• Molecular Weight: 174.29 g/mol
• Molecular Formula: C6H6S3
• Canonical SMILES: C1=C(C=C(C=C1S)S)S
• InChI: InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
• InChI Key: KXCKKUIJCYNZAE-UHFFFAOYSA-N
• Melting Point: 60 °C
• Solubility: Soluble in acetone.
• Appearance: White to Orange to Green Powder to Crystal
• Storage: 0-10 °C
• Complexity: 63.3
• Condition To Avoid: Air Sensitive,Heat Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 173.963164g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 9
• Monoisotopic Mass: 173.963164g/mol
• Physical State: Solid
• Rotatable Bond Count: 0
• XLogP3: 2.4