methyl[(5-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 310369
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1c(ccc1C)CNC
• Canonical SMILES: CNCc1ccc(s1)C
• InChI: InChI=1S/C7H11NS/c1-6-3-4-7(9-6)5-8-2/h3-4,8H,5H2,1-2H3
• InChIKey: XZPLAHRPQQWZFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methylthiophen-2-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methyl-2-thienyl)methanamine

Database IDs

• CAS Number: 82230-49-7
• MDL Number: MFCD04577955

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0521297
• LogD (pH = 7.4): 0.1752751
• Log P: 2.0903368
• Molar Refractivity: 41.2522 cm^3
• Polarizability: 15.944911 Å^3
• Polar Surface Area: 12.03 Å^2