Vitamin B1 pyrophosphate chloride

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride

CAS: 154-87-0

Molecular Formula	`C12H19ClN4O7P2S`
Molecular Weight	460.77 g/mol
Topological Polar Surface Area	197.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	460.01382
Heavy Atoms	27
Complexity	568.0

Chemical Identifiers

CAS Number	154-87-0
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]`
InChIKey	`YXVCLPJQTZXJLH-UHFFFAOYSA-N`

📖 Product Overview

Vitamin B1 pyrophosphate chloride (CAS: 154-87-0) is a chemical compound with molecular formula C12H19ClN4O7P2S and molecular weight 460.77 g/mol. Its IUPAC systematic name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride. Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 8 Exact Mass 460.01382 Heavy Atoms 27 Complexity 568.0 InChI Key: YXVCLPJQTZXJLH-UHFFFAOYSA-N. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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