1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
Basic information
- CAS
62609-86-3- Standard SMILES
O=C(O)CN1CC(=O)N(c2ccccc2)C1=S- InChIKey
RKOKREQSBUSBRK-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3S
- Average molar mass
- 250.28 g/mol
- Monoisotopic mass
- 250.04121336
Names & identifiers
- Preferred name
- 1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
- IUPAC
- 2-(4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)acetic acid
- English name
- 4-oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid
- Molecular formula
- C11H10N2O3S
- Molecular weight
- 250.27
Names & synonyms
62609-86-31-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-4-Oxo-3-phenyl-2-thioxo-1-imidazolidineacetic acidEINECS 263-633-3NSC 2707071-Carboxymethyl-3-phenyl-2-thiohydantoinDTXSID6069587RefChem:76070DTXCID00434264-Oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid2-(4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)acetic acidNSC270707
Show more names
NSC-2707072-(4-Oxo-3-phenyl-2-thioxoimidazolidin-1-yl)acetic acidOprea1_4011554-oxo-3-phenyl-2-thioxoimidazolidine-1-aceticacidHYD29H82B5SCHEMBL7813288(4-oxo-3-phenyl-2-thioxo-imidazolidin-1-yl)-acetic acidRKOKREQSBUSBRK-UHFFFAOYSA-N
Database identifiers
- CAS
62609-86-3- PubChem CID
- 73139
- DTXSID
DTXSID6069587- UNII
- HYD29H82B5
- EC Number
- 263-633-3
- Nikkaji
- J307.086G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Density
- 1.53 · 1.53
- FDA UNII
- 29 H82B5 · HYD29H82B5
- EPA Substance Registry System
- 1 · 1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo- (62609-86-3)
- 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 Information1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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