methyl[(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 306823
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(c(ccs1)C)CNC
• Canonical SMILES: CNCc1sccc1C
• InChI: InChI=1S/C7H11NS/c1-6-3-4-9-7(6)5-8-2/h3-4,8H,5H2,1-2H3
• InChIKey: KSWAIIKUFIWWOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(3-methylthiophen-2-yl)methyl]amine
• Synonyms: N-methyl-1-(3-methyl-2-thienyl)methanamine

Database IDs

• CAS Number: 860997-09-7
• MDL Number: MFCD04477990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1940639
• LogD (pH = 7.4): -0.0027093014
• Log P: 1.9578974
• Molar Refractivity: 41.2371 cm^3
• Polarizability: 15.94135 Å^3
• Polar Surface Area: 12.03 Å^2