Benzo(b)naphtho(1,2-d)thiophene

• CAS: 205-43-6
• Catalog Number: ACM205436
• Category: Other Products
• Molecular Weight: 234.3g/mol
• Molecular Formula: C16H10S
• IUPAC Name: naphtho[2,1-b][1]benzothiole
• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3
• InChI: InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H
• InChI Key: XZUMOEVHCZXMTR-UHFFFAOYSA-N
• Complexity: 287
• Covalently-Bonded Unit Count: 1
• Exact Mass: 234.050321g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 17
• LogP: 5.19 (LogP)
• Monoisotopic Mass: 234.050321g/mol
• Rotatable Bond Count: 0
• XLogP3: 5.6