5-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Structure Info
- Chemspace ID
- CSSB00020653867 (In-Stock Building Blocks)
- MFCD
- MFCD15525266
- IUPAC Name
- 5-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-4H-1,2,4-triazole-3-thiol
- Mol formula
- C10H7F4N3S
- Mol weight
- 277 Da
- Catalog Number(s)
- CSC020653867, SC-64374
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.94
- Heavy atoms count
- 18
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 31
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00020653867
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![Chemical structure of 2-({5-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid - CSSB00020653869](/st/structure/200/8816ca10b836f633689cffdef5942a6f/CN1C%2528SCC%2528O%2529%253DO%2529%253DNN%253DC1C1%253DC%2528F%2529C%253DCC%253DC1C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[(3-chloropropyl)sulfanyl]-5-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methyl-4H-1,2,4-triazole - CSSB00020653868](/st/structure/200/87d670cf41e93c6219864fc25d01be17/CN1C%2528SCCCCl%2529%253DNN%253DC1C1%253DC%2528F%2529C%253DCC%253DC1C%2528F%2529%2528F%2529F.png)