2-acetylthiamine pyrophosphate

Modify Date: 2025-08-25 10:28:06

2-acetylthiamine pyrophosphate Structure
2-acetylthiamine pyrophosphate structure
Common Name 2-acetylthiamine pyrophosphate
CAS Number 104114-88-7 Molecular Weight 518.80300
Density N/A Boiling Point N/A
Molecular Formula C14H21ClN4O9P2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate,chloride
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C14H21ClN4O9P2S
Molecular Weight 518.80300
Exact Mass 518.01900
PSA 246.69000
LogP 1.55520
InChIKey FCISWEMZFAELCQ-UHFFFAOYSA-N
SMILES Cc1ncc(C[n+]2csc(CCOC(=O)COP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]

 Synonyms

2-Acetylthiamin pyrophosphate
2-Acetylthiamine pyrophosphate
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