2,3-dihydrothiophene

• ChemBase ID: 125207
• Molecular Formular: C4H6S
• Molecular Mass: 86.15544
• Monoisotopic Mass: 86.01902119
• SMILES: S1C=CCC1
• Canonical SMILES: C1CC=CS1
• InChI: InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2
• InChIKey: OXBLVCZKDOZZOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydrothiophene
• IUPAC Traditional name: 2,3-dihydrothiophene
• Synonyms: 2,3-Dihydrothiophene

Database IDs

• CAS Number: 1120-59-8
• PubChem SID: 162219557
• PubChem CID: 136880
• Chemspider ID: 120627
• Wikipedia Title: 2,3-Dihydrothiophene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1495392
• LogD (pH = 7.4): 1.1495392
• Log P: 1.1495392
• Molar Refractivity: 26.816 cm^3
• Polarizability: 10.207826 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true