Structure Info
- Chemspace ID
- CSMB00016575178 (Enamine MADE)
- IUPAC Name
- 4-(propan-2-yl)-1,2-thiazole-3-carboxylic acid
- Mol formula
- C7H9NO2S
- Mol weight
- 171 Da
- Catalog Number(s)
- BBV-79095922, CSC016575178
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.23
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00016575178
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