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Monophosphothiamine
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NAMES
  • Monophosphothiamine
  • Phosphothiamine
SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1.[Cl-]
InChI
InChI=1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
MOLECULAR FORMULA
C12H18ClN4O4PS
CROSS REFERENCES
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Monophosphothiamine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 380.05
AlogP -2.27
HBond donors 4
HBond acceptors 8
Atoms 41
Contains toxicophore Yes
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Monophosphothiamine.