Structure Info
- Chemspace ID
- CSMB00103006538 (Enamine MADE)
- CAS
- 2229152-45-6
- IUPAC Name
- methyl 1-methyl-5-sulfanyl-1H-pyrazole-3-carboxylate
- Mol formula
- C6H8N2O2S
- Mol weight
- 172 Da
- Catalog Number(s)
- BBV-137206513, CSC103006538, EN300-1787541
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.77
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.33333333333333
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00103006538
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