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Chemistry

Mol. Mass

300.82

ALogP

0.61

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
  • InChIKey: MYVIATVLJGTBFV-UHFFFAOYSA-M
    InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1588   ChEMBL

CHEMBL1200941   ChEMBL
thiamine hydrochloride

CHEMBL1547   ChEMBL
thiamine

CHEMBL1740659   ChEMBL
fursultiamine

CHEMBL2104496   ChEMBL
thiamine mononitrate

4ABT0J945J   NCATS
thiamine ion *

Fursultiamine   Wikipedia

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