2-Acetylthiamin pyrophosphate

Base Information

• Chemical Name: 2-Acetylthiamin pyrophosphate
• CAS No.: 104114-88-7
• Molecular Formula: C14H21 N4 O8 P2 S . Cl
• Molecular Weight: 0
• Mol file: 104114-88-7.mol

Synonyms:2-acetylthiamin pyrophosphate;2-acetylthiamine pyrophosphate;acetylthiamine diphosphate;AcThDP

Chemical Property of 2-Acetylthiamin pyrophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 246.69000
• Density: g/cm³
• LogP: 1.55520
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 518.0193011
• Heavy Atom Count: 31
• Complexity: 684

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)COP(=O)(O)OP(=O)(O)O.[Cl-]