Tetrahydrothiamine diphosphate

Base Information

• Chemical Name: Tetrahydrothiamine diphosphate
• CAS No.: 35728-83-7
• Molecular Formula: C12H22 N4 O7 P2 S
• Molecular Weight: 428.34
• DSSTox Substance ID: DTXSID30957139
• Nikkaji Number: J812.418C
• Mol file: 35728-83-7.mol

Synonyms:tetrahydro-TPP;tetrahydrothiamine pyrophosphate

Chemical Property of Tetrahydrothiamine diphosphate

Chemical Property:

• Vapor Pressure: 2.97E-18mmHg at 25°C
• Boiling Point: 658.8°Cat760mmHg
• Flash Point: 352.2°C
• PSA: 213.98000
• Density: 1.565g/cm³
• LogP: 1.11500
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 428.06844422
• Heavy Atom Count: 26
• Complexity: 568

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(SCN1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O