Hydroxythiamine

Base Information

• Chemical Name: Hydroxythiamine
• CAS No.: 582-36-5
• Molecular Formula: C₁₂H₁₆N₃O₂S*Cl
• Molecular Weight: 301.797
• European Community (EC) Number: 209-483-4
• NSC Number: 56348
• UNII: WZJ9E9JTCY
• Wikidata: Q27147704
• Mol file: 582-36-5.mol

Synonyms:Hydroxythiamine;Oxythiamine

Chemical Property of Hydroxythiamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 98.10000
• Density: g/cm³
• LogP: -2.67720
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 301.0651756
• Heavy Atom Count: 19
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]