2-({4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Structure Info
- Chemspace ID
- CSSB00020653803 (In-Stock Building Blocks)
- MFCD
- MFCD04036455
- IUPAC Name
- 2-({4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
- Mol formula
- C12H10F3N3O2S
- Mol weight
- 317 Da
- Catalog Number(s)
- CSC020653803, SC-64250
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.5
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 68
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00020653803
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