Basic information
- CAS
827588-95-4- Standard SMILES
Oc1ccc(C=NNc2nc(=S)[nH][nH]2)cc1- InChIKey
OFLQLCAZDCCLEI-UHFFFAOYSA-N- Molecular formula
- C9H9N5OS
- Average molar mass
- 235.27 g/mol
- Monoisotopic mass
- 235.0527811
Names & identifiers
- Preferred name
- 4-Hydroxybenzaldehyde 2-(2,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazone
- IUPAC
- 5-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
Names & synonyms
5-{2-[(4-Hydroxyphenyl)methylidene]hydrazinyl}-2,4-dihydro-3H-1,2,4-triazole-3-thioneDTXSID6011397114-Hydroxybenzaldehyde 2-(2,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazone827588-95-4
Database identifiers
- CAS
827588-95-4- PubChem CID
- 4767331
- DTXSID
DTXSID601139711
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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