[(3-chloro-1-benzothiophen-2-yl)methyl](methyl)amine

• ChemBase ID: 306902
• Molecular Formular: C10H10ClNS
• Molecular Mass: 211.7111
• Monoisotopic Mass: 211.02224801
• SMILES: c1(c(c2c(s1)cccc2)Cl)CNC
• Canonical SMILES: CNCc1sc2c(c1Cl)cccc2
• InChI: InChI=1S/C10H10ClNS/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3
• InChIKey: QCYSKGORFDRMGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-chloro-1-benzothiophen-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(3-chloro-1-benzothiophen-2-yl)methyl](methyl)amine
• Synonyms: 1-(3-chloro-1-benzothien-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 132740-14-8
• MDL Number: MFCD09055261

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.19959489
• LogD (pH = 7.4): 1.7819896
• Log P: 3.1441035
• Molar Refractivity: 57.235 cm^3
• Polarizability: 23.595867 Å^3
• Polar Surface Area: 12.03 Å^2