4-tert-Butyldiphenyl sulfide

• CAS: 85609-03-6
• Catalog Number: ACM85609036
• Category: Other Products
• Molecular Weight: 242.4g/mol
• Molecular Formula: C16H18S
• IUPAC Name: 1-tert-butyl-4-phenylsulfanylbenzene
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC=C2
• InChI: InChI=1S/C16H18S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3
• InChI Key: KGRAEJDVHXHGSQ-UHFFFAOYSA-N
• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Exact Mass: 242.112922g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 242.112922g/mol
• Rotatable Bond Count: 3
• XLogP3: 5.7