5-(2,4-difluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Structure Info
- Chemspace ID
- CSSB00012340139 (In-Stock Building Blocks)
- MFCD
- MFCD02091583, MFCD15525296
- IUPAC Name
- 5-(2,4-difluorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- Mol formula
- C9H7F2N3S
- Mol weight
- 227 Da
- Catalog Number(s)
- BBV-45537890, BBV-93324166, CSC012340139, CSC116380292, SC-64404
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.21
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 31
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00012340139
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