2-aminopropane-1-thiol hydrochloride

• ChemBase ID: 243709
• Molecular Formular: C3H10ClNS
• Molecular Mass: 127.6362
• Monoisotopic Mass: 127.02224801
• SMILES: SCC(N)C.Cl
• Canonical SMILES: CC(CS)N.Cl
• InChI: InChI=1S/C3H9NS.ClH/c1-3(4)2-5;/h3,5H,2,4H2,1H3;1H
• InChIKey: LGDQCFHYSGLOKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropane-1-thiol hydrochloride
• IUPAC Traditional name: 2-aminopropane-1-thiol hydrochloride
• Synonyms: 2-aminopropane-1-thiol hydrochloride

Database IDs

• MDL Number: MFCD01697647
• PubChem SID: 164299619
• PubChem CID: 199407

CALCULATED PROPERTIES

• Acid pKa: 9.503281
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -2.7909095
• LogD (pH = 7.4): -1.8475096
• Log P: 0.013580449
• Molar Refractivity: 26.8125 cm^3
• Polarizability: 10.843542 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.057

Product Information

• Purity: 95%