Basic information
- Standard SMILES
Sc1ccccc1-c1nn[nH]n1- InChIKey
BHSSJHCINKZVQB-UHFFFAOYSA-N- Molecular formula
- C7H6N4S
- Average molar mass
- 178.22 g/mol
- Monoisotopic mass
- 178.03131738
Names & identifiers
- Preferred name
- 2-(2H-tetrazol-5-yl)benzenethiol
- IUPAC
- 2-(2H-tetrazol-5-yl)benzenethiol
Names & synonyms
SCHEMBL8326262SCHEMBL9389043SCHEMBL14844440BHSSJHCINKZVQB-UHFFFAOYSA-N2-(2H-tetrazol-5-yl)benzenethiol
Database identifiers
- PubChem CID
- 136199556
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
1 records
Compound notes
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