Basic information
- CAS
56666-77-4- Standard SMILES
[S-]c1c[n+](-c2ccccc2)no1- InChIKey
KXNAEWAALYCLTQ-UHFFFAOYSA-N- Molecular formula
- C8H6N2OS
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.02008399
Names & identifiers
- Preferred name
- 3-Phenyloxadiazol-3-ium-5-thiolate
- IUPAC
- 3-phenyloxadiazol-3-ium-5-thiolate
- English name
- 3-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate
- Molecular weight
- 0
Names & synonyms
3-phenyloxadiazol-3-ium-5-thiolate56666-77-4DTXSID20338953RefChem:281811DTXCID502900353-Phenyl-1,2,3-oxadiazol-3-ium-5-thiolate5-Thiolato-3-phenyl-1,2,3-oxadiazol-3-ium
Database identifiers
- CAS
56666-77-4- PubChem CID
- 552131
- DTXSID
DTXSID20338953- Nikkaji
- J114.381F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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