1-(thiophen-2-yl)cyclopentane-1-carbonyl chloride

• ChemBase ID: 118462
• Molecular Formular: C10H11ClOS
• Molecular Mass: 214.71174
• Monoisotopic Mass: 214.02191365
• SMILES: C1(c2sccc2)(C(=O)Cl)CCCC1
• Canonical SMILES: ClC(=O)C1(CCCC1)c1cccs1
• InChI: InChI=1S/C10H11ClOS/c11-9(12)10(5-1-2-6-10)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2
• InChIKey: BOGKQYNIEGWOJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)cyclopentane-1-carbonyl chloride
• IUPAC Traditional name: 1-(thiophen-2-yl)cyclopentane-1-carbonyl chloride
• Synonyms: 1-(2-thienyl)cyclopentanecarbonyl chloride

Database IDs

• MDL Number: MFCD16653398
• PubChem SID: 162099084
• PubChem CID: 45496760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.581617
• LogD (pH = 7.4): 3.581617
• Log P: 3.581617
• Molar Refractivity: 54.5893 cm^3
• Polarizability: 21.261572 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.517

Product Information

• Purity: 95+%