2-{[Hydroxy(imino)methyl]sulfanyl}-N-(2-hydroxyphenyl)ethanimidic acid
Basic information
- CAS
5428-96-6- Standard SMILES
NC(=O)SCC(=O)Nc1ccccc1O- InChIKey
DDFZCPAANNQTGE-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.04121336
Names & identifiers
- Preferred name
- 2-{[Hydroxy(imino)methyl]sulfanyl}-N-(2-hydroxyphenyl)ethanimidic acid
- IUPAC
- S-[2-(2-hydroxyanilino)-2-oxoethyl] carbamothioate
Names & synonyms
5428-96-6NSC13337CBMicro_012367Oprea1_182057SCHEMBL12127427DTXSID00969320SMSF0010467NSC-133372-{[Hydroxy(imino)methyl]sulfanyl}-N-(2-hydroxyphenyl)ethanimidic acidAKOS001605395CB15568BIM-0012171.P001
Show more names
EU-0069619SR-01000414999SR-01000414999-1{[Hydroxy(imino)methyl]sulfanyl}-N-(2-hydroxyphenyl)ethanimidic acid
Database identifiers
- CAS
5428-96-6- PubChem CID
- 224657
- DTXSID
DTXSID00969320
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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