5-methylthiophen-3-amine

• ChemBase ID: 291957
• Molecular Formular: C5H7NS
• Molecular Mass: 113.18078
• Monoisotopic Mass: 113.02992023
• SMILES: Cc1cc(N)cs1
• Canonical SMILES: Nc1csc(c1)C
• InChI: InChI=1S/C5H7NS/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3
• InChIKey: YHGSDEFWAXHCDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylthiophen-3-amine
• IUPAC Traditional name: 5-methylthiophen-3-amine
• Synonyms: 5-Methylthiophen-3-amine

Database IDs

• CAS Number: 153137-85-0
• MDL Number: MFCD01680229
• PubChem SID: 180677488
• PubChem CID: 6422232

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5706224
• LogD (pH = 7.4): 1.5706226
• Log P: 1.5706227
• Molar Refractivity: 32.9205 cm^3
• Polarizability: 11.858369 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%