2-(4,5-dimethylthiophen-3-yl)ethan-1-amine

• ChemBase ID: 308300
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: s1c(c(c(c1)CCN)C)C
• Canonical SMILES: Cc1c(CCN)csc1C
• InChI: InChI=1S/C8H13NS/c1-6-7(2)10-5-8(6)3-4-9/h5H,3-4,9H2,1-2H3
• InChIKey: MDVMPJVPHAZSJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dimethylthiophen-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,5-dimethylthiophen-3-yl)ethanamine
• Synonyms: 2-(4,5-dimethyl-3-thienyl)ethanamine

Database IDs

• CAS Number: 933852-41-6
• MDL Number: MFCD11053951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.67734677
• LogD (pH = 7.4): 0.096103035
• Log P: 2.3273995
• Molar Refractivity: 46.4897 cm^3
• Polarizability: 17.619768 Å^3
• Polar Surface Area: 26.02 Å^2