(3-ethylthiophen-2-yl)methanamine

• ChemBase ID: 236911
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(c(ccs1)CC)CN
• Canonical SMILES: CCc1ccsc1CN
• InChI: InChI=1S/C7H11NS/c1-2-6-3-4-9-7(6)5-8/h3-4H,2,5,8H2,1H3
• InChIKey: CKUOHYPFSDSRKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethylthiophen-2-yl)methanamine
• IUPAC Traditional name: (3-ethylthiophen-2-yl)methanamine
• Synonyms: (3-ethylthiophen-2-yl)methanamine

Database IDs

• MDL Number: MFCD14656349
• PubChem SID: 164292821
• PubChem CID: 61389287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.95262057
• LogD (pH = 7.4): 0.30902532
• Log P: 1.9698857
• Molar Refractivity: 41.0635 cm^3
• Polarizability: 15.94119 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.718

Product Information

• Purity: 95%