O-Bromoacetylthiamine

Base Information

• Chemical Name: O-Bromoacetylthiamine
• CAS No.: 117826-71-8
• Molecular Formula: C14H18 Br N4 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80151923
• Wikidata: Q83018467
• Mol file: 117826-71-8.mol

Synonyms:BrAcThiamine;O-bromoacetylthiamine

Chemical Property of O-Bromoacetylthiamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 110.22000
• Density: g/cm³
• LogP: -0.39070
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 385.03338
• Heavy Atom Count: 22
• Complexity: 377

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(N=C2N)C)CCOC(=O)CBr