thiophen-3-ylmethanamine hydrochloride

• ChemBase ID: 239628
• Molecular Formular: C5H8ClNS
• Molecular Mass: 149.64172
• Monoisotopic Mass: 149.00659794
• SMILES: c1(cscc1)CN.Cl
• Canonical SMILES: NCc1cscc1.Cl
• InChI: InChI=1S/C5H7NS.ClH/c6-3-5-1-2-7-4-5;/h1-2,4H,3,6H2;1H
• InChIKey: CUWJIHMNGIOCCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-3-ylmethanamine hydrochloride; (thiophen-3-yl)methanamine hydrochloride
• IUPAC Traditional name: thiophen-3-ylmethanamine hydrochloride
• Synonyms: thiophen-3-ylmethanamine hydrochloride; (THIOPHEN-3-YL)METHANAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 115132-84-8
• MDL Number: MFCD03306024
• PubChem SID: 164295538
• PubChem CID: 16956077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0563734
• LogD (pH = 7.4): -0.8400715
• Log P: 0.8794562
• Molar Refractivity: 31.6372 cm^3
• Polarizability: 12.338585 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%; 95+%; 98%