Phenyl sulfide

• CAS: 139-66-2
• Catalog Number: ACM139662
• Category: Other Products
• Molecular Weight: 186.27g/mol
• Molecular Formula: C12H10S
• Description: Liquid
• IUPAC Name: phenylsulfanylbenzene
• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2
• InChI: InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
• InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N
• Boiling Point: 296.0 °C
• Melting Point: -25.9 °C
• Complexity: 116
• Covalently-Bonded Unit Count: 1
• EC Number: 205-371-4
• Exact Mass: 186.050321g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 13
• LogP: 4.45 (LogP)
• Monoisotopic Mass: 186.050321g/mol
• NSC Number: 4568
• Rotatable Bond Count: 2
• UNII: B5P3Y93MNR
• Vapor Pressure: 0.01 mmHg
• XLogP3: 4.5