2-(3-methylthiophen-2-yl)ethan-1-amine

• ChemBase ID: 306762
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(c(ccs1)C)CCN
• Canonical SMILES: NCCc1sccc1C
• InChI: InChI=1S/C7H11NS/c1-6-3-5-9-7(6)2-4-8/h3,5H,2,4,8H2,1H3
• InChIKey: CUXLLWPAXDMLLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylthiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-methylthiophen-2-yl)ethanamine
• Synonyms: 2-(3-methyl-2-thienyl)ethanamine

Database IDs

• CAS Number: 125140-63-8
• MDL Number: MFCD08059760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1853272
• LogD (pH = 7.4): -0.35028043
• Log P: 1.8139782
• Molar Refractivity: 41.3279 cm^3
• Polarizability: 15.861359 Å^3
• Polar Surface Area: 26.02 Å^2