thiophen-3-amine hydrochloride

• ChemBase ID: 276431
• Molecular Formular: C4H6ClNS
• Molecular Mass: 135.61514
• Monoisotopic Mass: 134.99094788
• SMILES: c1(ccsc1)N.Cl
• Canonical SMILES: Nc1cscc1.Cl
• InChI: InChI=1S/C4H5NS.ClH/c5-4-1-2-6-3-4;/h1-3H,5H2;1H
• InChIKey: BEBOUWGYKDEYIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-3-amine hydrochloride
• IUPAC Traditional name: thiophen-3-amine hydrochloride
• Synonyms: thiophen-3-amine hydrochloride

Database IDs

• MDL Number: MFCD11226843
• PubChem SID: 164332341
• PubChem CID: 12413181

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.92476165
• LogD (pH = 7.4): 0.92476183
• Log P: 0.92476183
• Molar Refractivity: 27.8642 cm^3
• Polarizability: 10.101012 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.761

Product Information

• Purity: 95%