Structure Info
- Chemspace ID
- CSMB00013375147 (Enamine MADE)
- MFCD
- MFCD26915629
- IUPAC Name
- 3-(3-iodophenyl)-1-methyl-1H-1,2,4-triazole-5-thiol
- Mol formula
- C9H8IN3S
- Mol weight
- 317 Da
- Catalog Number(s)
- BBV-149803930, BBV-149830787, BBV-50508666, CSC013375147, CSC114751521, CSC114777146, IMED1675042001
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.68
- 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
- CSMB00013375147
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