1,2-thiazol-4-amine hydrochloride

• ChemBase ID: 289922
• Molecular Formular: C3H5ClN2S
• Molecular Mass: 136.6032
• Monoisotopic Mass: 135.98619685
• SMILES: Nc1csnc1.Cl
• Canonical SMILES: Nc1csnc1.Cl
• InChI: InChI=1S/C3H4N2S.ClH/c4-3-1-5-6-2-3;/h1-2H,4H2;1H
• InChIKey: HZDCYJWMJZADPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-thiazol-4-amine hydrochloride
• IUPAC Traditional name: 1,2-thiazol-4-amine hydrochloride
• Synonyms: Isothiazol-4-amine hydrochloride

Database IDs

• CAS Number: 64527-29-3
• PubChem SID: 180675453
• PubChem CID: 53408597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11389077
• LogD (pH = 7.4): 0.11393279
• Log P: 0.113933325
• Molar Refractivity: 26.6994 cm^3
• Polarizability: 9.281705 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%