3-Chlorothiophene

• CAS: 17249-80-8
• Catalog Number: ACM17249808
• Category: Thiophenes
• Molecular Weight: 118.59g/mol
• Molecular Formula: C4H3ClS
• Synonyms: Thiophene, 3-chloro-
• IUPAC Name: 3-chlorothiophene
• Canonical SMILES: C1=CSC=C1Cl
• InChI: InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3H
• InChI Key: QUBJDMPBDURTJT-UHFFFAOYSA-N
• Boiling Point: 137-139 °C
• Flash Point: 37 °C
• Density: 1.276 g/mL at 25 °C(lit.)
• Appearance: Colorless Clear Liquid
• Complexity: 46.8
• Covalently-Bonded Unit Count: 1
• Exact Mass: 117.964399g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 6
• LogP: 2.55 (LogP)
• Monoisotopic Mass: 117.964399g/mol
• Rotatable Bond Count: 0
• XLogP3: 2.6