2-chloro-N-[2-(thiophen-3-yl)ethyl]acetamide

• ChemBase ID: 260616
• Molecular Formular: C8H10ClNOS
• Molecular Mass: 203.6891
• Monoisotopic Mass: 203.01716263
• SMILES: s1cc(cc1)CCNC(=O)CCl
• Canonical SMILES: ClCC(=O)NCCc1cscc1
• InChI: InChI=1S/C8H10ClNOS/c9-5-8(11)10-3-1-7-2-4-12-6-7/h2,4,6H,1,3,5H2,(H,10,11)
• InChIKey: CMPPZHOMUCPMNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(thiophen-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(thiophen-3-yl)ethyl]acetamide
• Synonyms: 2-chloro-N-[2-(thiophen-3-yl)ethyl]acetamide

Database IDs

• MDL Number: MFCD14649124
• PubChem SID: 164316526
• PubChem CID: 15697329

CALCULATED PROPERTIES

• Acid pKa: 13.035475
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5243078
• LogD (pH = 7.4): 1.5243069
• Log P: 1.5243078
• Molar Refractivity: 50.5892 cm^3
• Polarizability: 19.438583 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 1.278

Product Information

• Purity: 95%