Structure Info
- Chemspace ID
- CSMB00102966366 (Enamine MADE)
- CAS
- 2228607-67-6
- IUPAC Name
- methyl 1-methyl-4-(sulfanylmethyl)-1H-pyrazole-3-carboxylate
- Mol formula
- C7H10N2O2S
- Mol weight
- 186 Da
- Catalog Number(s)
- BBV-137166406, CSC102966366, EN300-1738567, IMED3271417946
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.07
- Heavy atoms count
- 12
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00102966366
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