5-(4-iodophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Structure Info
- Chemspace ID
- CSSB00011356923 (In-Stock Building Blocks)
- MFCD
- MFCD06637303, MFCD15525227
- IUPAC Name
- 5-(4-iodophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- Mol formula
- C9H8IN3S
- Mol weight
- 317 Da
- Catalog Number(s)
- BBV-40199957, BBV-93050109, CSC011356923, CSC116352426, FCH6945432, IMED1269254432, IMED2312970329, SC-64329
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.85
- Heavy atoms count
- 14
- 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
- CSSB00011356923
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