4-Phenyl-5-sulfanyl-4,5-dihydro-1H-tetrazol-1-ol
Basic information
- CAS
874788-60-0- Standard SMILES
[O-][N+]1=NNN(c2ccccc2)C1S- InChIKey
DPCGWSZXCOPYIV-UHFFFAOYSA-N- Molecular formula
- C7H8N4OS
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.04188206
Names & identifiers
- Preferred name
- 4-Phenyl-5-sulfanyl-4,5-dihydro-1H-tetrazol-1-ol
- IUPAC
- 4-oxido-1-phenyl-2,5-dihydrotetrazol-4-ium-5-thiol
Names & synonyms
874788-60-04-Phenyl-5-sulfanyl-4,5-dihydro-1H-tetrazol-1-olDTXSID30832270
Database identifiers
- CAS
874788-60-0- PubChem CID
- 136245403
- DTXSID
DTXSID30832270
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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