thiophen-2-amine hydrochloride

• ChemBase ID: 289643
• Molecular Formular: C4H6ClNS
• Molecular Mass: 135.61514
• Monoisotopic Mass: 134.99094788
• SMILES: Cl.Nc1cccs1
• Canonical SMILES: Nc1cccs1.Cl
• InChI: InChI=1S/C4H5NS.ClH/c5-4-2-1-3-6-4;/h1-3H,5H2;1H
• InChIKey: IRGDRSIZYKSOPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-2-amine hydrochloride
• IUPAC Traditional name: thiophen-2-amine hydrochloride
• Synonyms: Thiophen-2-amine hydrochloride

Database IDs

• CAS Number: 18621-53-9
• PubChem SID: 180675174
• PubChem CID: 12330503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0907577
• LogD (pH = 7.4): 1.0907577
• Log P: 1.0907577
• Molar Refractivity: 27.0241 cm^3
• Polarizability: 10.116028 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%