1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione
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Basic information
- CAS
3414-96-8- Standard SMILES
Oc1ccc(-c2nc(=S)[nH][nH]2)cc1- InChIKey
GHQAENHMNKYJGV-UHFFFAOYSA-N- Molecular formula
- C8H7N3OS
- Average molar mass
- 193.23 g/mol
- Monoisotopic mass
- 193.03098303
Names & identifiers
- Preferred name
- 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione
- IUPAC
- 5-(4-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
- English name
- 1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrate
- Molecular formula
- C8H7N3OS
- Molecular weight
- 193.23
Names & synonyms
3414-96-8RefChem:10522711,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione4-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol4-(5-mercapto-4H-1,2,4-triazol-3-yl)phenol1H-1,2,4-Triazole-3-thiol, 5-(p-hydroxyphenyl)-, hydrateNSC625816MLS0005479055-(p-Hydroxyphenyl)-1H-1,2,4-triazole-3-thiol hydrate5-(4-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thionePhenol, 4-(3-mercapto-5-(1H-1,2,4-triazolyl))-, hydrateSMR000113306
Show more names
3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-hydroxyphenyl)-
MFCD019300574-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-oneSCHEMBL3987498CHEMBL1329322SCHEMBL11509840BDBM59801cid_5387694DTXSID10955678
Database identifiers
- CAS
3414-96-8- PubChem CID
- 689100
- DTXSID
DTXSID10955678- ChEMBL
CHEMBL1329322
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
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Compound notes
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