2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 239118
• Molecular Formular: C8H10ClNOS
• Molecular Mass: 203.6891
• Monoisotopic Mass: 203.01716263
• SMILES: C(=O)(N(Cc1sccc1)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1cccs1)C
• InChI: InChI=1S/C8H10ClNOS/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3
• InChIKey: WHLFGXOMONJIPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: 2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD06361971
• PubChem SID: 164295028
• PubChem CID: 2543182

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5917621
• LogD (pH = 7.4): 1.5917621
• Log P: 1.5917621
• Molar Refractivity: 50.515 cm^3
• Polarizability: 19.439648 Å^3
• Polar Surface Area: 20.31 Å^2

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.225

Product Information

• Purity: 95%