5-(3-chloro-2-nitrophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Structure Info
- Chemspace ID
- CSSB00020653877 (In-Stock Building Blocks)
- MFCD
- MFCD15525284
- IUPAC Name
- 5-(3-chloro-2-nitrophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- Mol formula
- C9H7ClN4O2S
- Mol weight
- 271 Da
- Catalog Number(s)
- CSC020653877, SC-64392
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.46
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00020653877
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