1-(thiophen-3-yl)propan-2-amine

• ChemBase ID: 261978
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1cc(cc1)CC(N)C
• Canonical SMILES: CC(Cc1cscc1)N
• InChI: InChI=1S/C7H11NS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6H,4,8H2,1H3
• InChIKey: RTEQDZAVAQTCOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-yl)propan-2-amine
• IUPAC Traditional name: 1-(thiophen-3-yl)propan-2-amine
• Synonyms: 1-(thiophen-3-yl)propan-2-amine; 1-(3-thienyl)propan-2-amine

Database IDs

• MDL Number: MFCD09055210
• PubChem SID: 164317888
• PubChem CID: 13188564

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4314138
• LogD (pH = 7.4): -0.8289275
• Log P: 1.5846925
• Molar Refractivity: 40.811 cm^3
• Polarizability: 15.942352 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.388

Product Information

• Purity: 95%