Benzyl carbamimidothioate;2-hydroxybenzoic acid
Basic information
- CAS
7461-22-5- Standard SMILES
N=C(N)SCc1ccccc1.O=C(O)c1ccccc1O- InChIKey
FZFFKKCELLKGSP-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- Benzyl carbamimidothioate;2-hydroxybenzoic acid
- IUPAC
- benzyl carbamimidothioate;2-hydroxybenzoic acid
Names & synonyms
NSC4047937461-22-5DTXSID50323756NSC-4047932-Hydroxybenzoic acid--benzyl carbamimidothioate (1/1)
Database identifiers
- CAS
7461-22-5- PubChem CID
- 346533
- DTXSID
DTXSID50323756
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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