2-(5-chlorothiophene-2-carbonyl)furan

• ChemBase ID: 251997
• Molecular Formular: C9H5ClO2S
• Molecular Mass: 212.6528
• Monoisotopic Mass: 211.96987808
• SMILES: c1(sc(cc1)Cl)C(=O)c1occc1
• Canonical SMILES: Clc1ccc(s1)C(=O)c1ccco1
• InChI: InChI=1S/C9H5ClO2S/c10-8-4-3-7(13-8)9(11)6-2-1-5-12-6/h1-5H
• InChIKey: YVEZYSAXQMBKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chlorothiophene-2-carbonyl)furan
• IUPAC Traditional name: 2-(5-chlorothiophene-2-carbonyl)furan
• Synonyms: (5-chlorothien-2-yl)(2-furyl)methanone

Database IDs

• MDL Number: MFCD07843125
• PubChem SID: 164307907
• PubChem CID: 8934581

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1757674
• LogD (pH = 7.4): 3.1757674
• Log P: 3.1757674
• Molar Refractivity: 49.879 cm^3
• Polarizability: 19.529554 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.89

Product Information

• Purity: 95%