4-Ethylthiophenol

• CAS: 4946-13-8
• Catalog Number: ACM4946138
• Category: Other Products
• Molecular Weight: 138.23g/mol
• Molecular Formula: C8H10S
• IUPAC Name: 4-ethylbenzenethiol
• Canonical SMILES: CCC1=CC=C(C=C1)S
• InChI: InChI=1S/C8H10S/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
• InChI Key: WWQQPHUHTAZWDH-UHFFFAOYSA-N
• Complexity: 72.6
• Covalently-Bonded Unit Count: 1
• Exact Mass: 138.050321g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 138.050321g/mol
• Rotatable Bond Count: 1
• XLogP3: 3.1