3-[(3-chloropropyl)sulfanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Structure Info
- Chemspace ID
- CSSB00020653802 (In-Stock Building Blocks)
- MFCD
- MFCD15525179
- IUPAC Name
- 3-[(3-chloropropyl)sulfanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
- Mol formula
- C13H13ClF3N3S
- Mol weight
- 336 Da
- Catalog Number(s)
- CSC020653802, SC-64249
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.95
- Heavy atoms count
- 21
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 31
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00020653802
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