4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-amine hydrochloride

• ChemBase ID: 293493
• Molecular Formular: C6H9ClN2OS
• Molecular Mass: 192.66646
• Monoisotopic Mass: 192.0124116
• SMILES: Nc1nc2c(COCC2)s1.Cl
• Canonical SMILES: Nc1nc2c(s1)COCC2.Cl
• InChI: InChI=1S/C6H8N2OS.ClH/c7-6-8-4-1-2-9-3-5(4)10-6;/h1-3H2,(H2,7,8);1H
• InChIKey: QEKDSMUYYQIGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-amine hydrochloride
• IUPAC Traditional name: 4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-amine hydrochloride
• Synonyms: 6,7-Dihydro-4H-pyrano[4,3-d]thiazol-2-amine hydrochloride

Database IDs

• CAS Number: 623931-31-7
• PubChem SID: 180679024
• PubChem CID: 22224447

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.56494886
• Log P: 0.56529075
• Molar Refractivity: 39.5231 cm^3
• Polarizability: 14.711862 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.676966
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.538986

PROPERTIES

Product Information

• Purity: 95+%