Basic information
- CAS
5428-95-5- Standard SMILES
NC(=O)SCC(=O)Nc1ccccc1- InChIKey
CEINNGQDMFZTJK-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2S
- Average molar mass
- 210.26 g/mol
- Monoisotopic mass
- 210.04629874
Names & identifiers
- Preferred name
- Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
- IUPAC
- S-(2-anilino-2-oxoethyl) carbamothioate
- English name
- 2-carbamoylsulfanyl-N-phenyl-acetamide
- Molecular formula
- C9H10N2O2S
- Molecular weight
- 210.25
Names & synonyms
USAF uctl-1766ACETANILIDE, (2-MERCAPTOCARBAMOYL)DI-BRN 3053094p,p'-Bis(alpha-thiolcarbamylacetamido)biphenylS-[2-Oxo-2-(phenylamino)ethyl] thiocarbamateBiphenyl, p,p'-bis(mercaptocarbamoylacetamido)-p,p'-Bis(alpha-thiol carbamylacetamido)biphenylBiphenyl, p,p'-bis(alpha-thiol carbamylacetamido)-Carbamothioic acid, S-(2-oxo-2-(phenylamino)ethyl) esterCarbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] esterDTXSID4063876S-(2-Oxo-2-(phenylamino)ethyl) thiocarbamate
Show more names
2-(Carbamoylthio)acetanilide2-carbamoylsulfanyl-N-phenyl-acetamide
alpha-Mercaptoacetanilide carbamate.alpha.-(Thiocarbamyl) acetanilide3-12-00-00929 (Beilstein Handbook Reference)Carbamic acid, thio, S-ester with 2-mercaptoacetanilideCarbamic acid, thio-, S-ester with 2-mercaptoacetanilideAcetamide, N-phenyl-2-(carbamoylthio)-RefChem:123459DTXCID3041663
Database identifiers
- CAS
5428-95-5
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 148 °C · 148°C
- Density
- 1.3326 · 1.3326 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- EPA Substance Registry System
- 2 · S-[2-Oxo-2-(phenylamino)ethyl] thiocarbamate (5428-95-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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