(5-ethylthiophen-2-yl)methanamine

• ChemBase ID: 257963
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1c(ccc1CC)CN
• Canonical SMILES: CCc1ccc(s1)CN
• InChI: InChI=1S/C7H11NS/c1-2-6-3-4-7(5-8)9-6/h3-4H,2,5,8H2,1H3
• InChIKey: YHFOIHQJJZYQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethylthiophen-2-yl)methanamine
• IUPAC Traditional name: (5-ethylthiophen-2-yl)methanamine
• Synonyms: (5-ethylthien-2-yl)methylamine

Database IDs

• MDL Number: MFCD00966033
• PubChem SID: 164313873
• PubChem CID: 3801349

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.81509
• LogD (pH = 7.4): 0.46229324
• Log P: 2.1023252
• Molar Refractivity: 41.0016 cm^3
• Polarizability: 15.944837 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.768

Product Information

• Purity: 95%