1-(5-methylthiophen-2-yl)ethan-1-amine

• ChemBase ID: 263145
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: s1c(ccc1C)C(N)C
• Canonical SMILES: Cc1ccc(s1)C(N)C
• InChI: InChI=1S/C7H11NS/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,8H2,1-2H3
• InChIKey: CODYMUAFGSPBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methylthiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5-methylthiophen-2-yl)ethanamine
• Synonyms: 1-(5-methylthiophen-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD05215239
• PubChem SID: 164319055
• PubChem CID: 4279427

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.88980716
• LogD (pH = 7.4): 0.20271021
• Log P: 2.0743315
• Molar Refractivity: 40.8964 cm^3
• Polarizability: 15.944836 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.548

Product Information

• Purity: 95%