Basic information
- CAS
7596-93-2- Standard SMILES
N=C(N)SCc1ccccc1.O=C(O)C(O)c1ccccc1- InChIKey
SCLZSXXPIUZVRC-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10381361
Names & identifiers
- Preferred name
- Benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
- IUPAC
- benzyl carbamimidothioate;2-hydroxy-2-phenylacetic acid
Names & synonyms
7596-93-2NSC405680DTXSID30324084NSC-405680Hydroxy(phenyl)acetic acid--benzyl carbamimidothioate (1/1)
Database identifiers
- CAS
7596-93-2- PubChem CID
- 347170
- DTXSID
DTXSID30324084
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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