{[{[Hydroxy(phenyl)methylidene]amino}(sulfanyl)methylidene]amino}acetate
Basic information
- CAS
7245-61-6- Standard SMILES
O=C([O-])CNC(=S)NC(=O)c1ccccc1- InChIKey
JEKPCIBJVXMBKT-UHFFFAOYSA-M- Molecular formula
- C10H9N2O3S-
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.03338833
Names & identifiers
- Preferred name
- {[{[Hydroxy(phenyl)methylidene]amino}(sulfanyl)methylidene]amino}acetate
- IUPAC
- 2-(benzoylcarbamothioylamino)acetate
- English name
- (3-Benzoyl-thioureido)-acetic acid
- Molecular formula
- C10H10N2O3S
- Molecular weight
- 0
Names & synonyms
DTXSID10993257{[{[Hydroxy(phenyl)methylidene]amino}(sulfanyl)methylidene]amino}acetate
Database identifiers
- CAS
7245-61-6- PubChem CID
- 2437254
- DTXSID
DTXSID10993257
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 282
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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