Benzyl carbamimidothioate;2-hydroxyacetic acid
Basic information
- CAS
7404-27-5- Standard SMILES
N=C(N)SCc1ccccc1.O=C(O)CO- InChIKey
RDTDLIJMHBOFAI-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.07251349
Names & identifiers
- Preferred name
- Benzyl carbamimidothioate;2-hydroxyacetic acid
- IUPAC
- benzyl carbamimidothioate;2-hydroxyacetic acid
Names & synonyms
7404-27-5NSC403458DTXSID60323267NSC-403458Hydroxyacetic acid--benzyl carbamimidothioate (1/1)
Database identifiers
- CAS
7404-27-5- PubChem CID
- 345714
- DTXSID
DTXSID60323267
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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