5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thione
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Basic information
- CAS
32058-76-7- Standard SMILES
Nc1ccccc1-c1n[nH]c(=S)o1- InChIKey
GTSDCSVJMSVSGX-UHFFFAOYSA-N- Molecular formula
- C8H7N3OS
- Average molar mass
- 193.23 g/mol
- Monoisotopic mass
- 193.03098303
Names & identifiers
- Preferred name
- 5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thione
- IUPAC
- 5-(2-aminophenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thione
- Molecular formula
- C8H7N3OS
- Molecular weight
- 193.23
Names & synonyms
32058-76-71,3,4-Oxadiazole-2(3H)-thione, 5-(2-aminophenyl)-5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thioneDTXSID9035789877WL8388TFRefChem:913099DTXCID203089541,3,4-Oxadiazole-2(3H)-thione5-(2-aminophenyl)-1,3,4-oxadiazole-2-thiol5-(2-aminophenyl)-3H-1,3,4-oxadiazole-2-thione5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl hydrosulfideSCHEMBL7729357
Show more names
2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole
SCHEMBL8978578BDBM152486MFCD01536038STL371237AKOS022191196AKOS030240143CS-03330572-aminophenyl-5-mercapto-1-oxa-3,4-diazole
Database identifiers
- CAS
32058-76-7- PubChem CID
- 870908
- DTXSID
DTXSID90357898- UNII
- 77WL8388TF
- Nikkaji
- J920.520I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 199 · 199-201 °C(Solv: ethanol (64-17-5))
- Boiling point
- 314.1 · 314.1±44.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 5.11 · 5.11±0.10(Predicted)
Chemistry & industry
Applications
Uses5-(2-Aminophenyl)-1,3,4-oxadiazole-2(3H)-thione was used in preparation of (benzylthio)aryloxadiazole derivatives as anti-tumor agents. It was also used as a reagent in sythesis and pharmacological evaluation of fenamate analogues for their analgesic, antiinflammatory and ulcerogenic effects.
Upstream & downstream products
Downstream products
Related reactions
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Compound notes
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