5-chlorothiophen-2-amine hydrochloride

• ChemBase ID: 289964
• Molecular Formular: C4H5Cl2NS
• Molecular Mass: 170.0602
• Monoisotopic Mass: 168.95197553
• SMILES: Nc1ccc(Cl)s1.Cl
• Canonical SMILES: Nc1ccc(s1)Cl.Cl
• InChI: InChI=1S/C4H4ClNS.ClH/c5-3-1-2-4(6)7-3;/h1-2H,6H2;1H
• InChIKey: XXXVGLUJJDGMTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chlorothiophen-2-amine hydrochloride
• IUPAC Traditional name: 5-chlorothiophen-2-amine hydrochloride
• Synonyms: 5-Chlorothiophen-2-amine hydrochloride

Database IDs

• CAS Number: 1070886-43-9
• PubChem SID: 180675495
• PubChem CID: 66570662

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8607985
• LogD (pH = 7.4): 1.8607985
• Log P: 1.8607985
• Molar Refractivity: 30.9888 cm^3
• Polarizability: 12.091392 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%