2-(benzenesulfonyl)thiophene

• ChemBase ID: 295175
• Molecular Formular: C10H8O2S2
• Molecular Mass: 224.29932
• Monoisotopic Mass: 223.9965715
• SMILES: c1ccc(cc1)S(=O)(=O)c1cccs1
• Canonical SMILES: O=S(=O)(c1cccs1)c1ccccc1
• InChI: InChI=1S/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
• InChIKey: SRWXKQSZSIGHCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzenesulfonyl)thiophene
• IUPAC Traditional name: 2-(benzenesulfonyl)thiophene
• Synonyms: 2-(Benzenesulfonyl)thiophene; Phenyl 2-thienyl sulfone; 2-(Phenylsulfonyl)thiophene; 2-(苯磺酰)噻吩

Database IDs

• CAS Number: 22407-40-5
• MDL Number: MFCD00052142
• Beilstein Number: 146279
• PubChem SID: 180680706
• PubChem CID: 284324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8745184
• LogD (pH = 7.4): 2.8745184
• Log P: 2.8745184
• Molar Refractivity: 55.8559 cm^3
• Polarizability: 23.070057 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121-125°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%