5-(furan-2-yl)thiophene-2-carbonyl chloride

• ChemBase ID: 78580
• Molecular Formular: C9H5ClO2S
• Molecular Mass: 212.6528
• Monoisotopic Mass: 211.96987808
• SMILES: s1c(ccc1C(=O)Cl)c1ccco1
• Canonical SMILES: ClC(=O)c1ccc(s1)c1ccco1
• InChI: InChI=1S/C9H5ClO2S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H
• InChIKey: MXCYGPNMXBWQEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)thiophene-2-carbonyl chloride
• IUPAC Traditional name: 5-(furan-2-yl)thiophene-2-carbonyl chloride
• Synonyms: 5-(Fur-2-yl)thiophene-2-carbonyl chloride 97%

Database IDs

• CAS Number: 868755-63-9
• MDL Number: MFCD08741421
• PubChem SID: 162043343
• PubChem CID: 18525821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7812178
• LogD (pH = 7.4): 2.7812178
• Log P: 2.7812178
• Molar Refractivity: 51.3738 cm^3
• Polarizability: 20.609646 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82.5-83.5°C

Safety Information

• Storage Warning: Corrosive