4-methylthiophen-3-amine hydrochloride

• ChemBase ID: 236591
• Molecular Formular: C5H8ClNS
• Molecular Mass: 149.64172
• Monoisotopic Mass: 149.00659794
• SMILES: c1(c(csc1)N)C.Cl
• Canonical SMILES: Nc1cscc1C.Cl
• InChI: InChI=1S/C5H7NS.ClH/c1-4-2-7-3-5(4)6;/h2-3H,6H2,1H3;1H
• InChIKey: QQRODCVDMUHZCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylthiophen-3-amine hydrochloride
• IUPAC Traditional name: 4-methylthiophen-3-amine hydrochloride
• Synonyms: 4-methylthiophen-3-amine hydrochloride

Database IDs

• MDL Number: MFCD18074431
• PubChem SID: 164292501
• PubChem CID: 5743395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4381831
• LogD (pH = 7.4): 1.4381832
• Log P: 1.4381832
• Molar Refractivity: 32.9054 cm^3
• Polarizability: 11.854625 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 190 - 192°C
• Hydrophobicity(logP): 1.21

Product Information

• Purity: 95%