(1-Benzyl-5-oxo-2-thioxo-imidazolidin-4-yl)-acetic acid
Basic information
- CAS
52730-34-4- Standard SMILES
O=C(O)CC1NC(=S)N(Cc2ccccc2)C1=O- InChIKey
AMROWGDRHJNHAR-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.05686342
Names & identifiers
- Preferred name
- (1-Benzyl-5-oxo-2-thioxo-imidazolidin-4-yl)-acetic acid
- IUPAC
- 2-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid
- English name
- (1-Benzyl-5-oxo-2-thioxo-imidazolidin-4-yl)-acetic acid
- Molecular formula
- C12H12N2O3S
- Molecular weight
- 264.3
Names & synonyms
52730-34-4(1-Benzyl-5-oxo-2-thioxo-imidazolidin-4-yl)-acetic acid2-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-yl)acetic acid2-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid(1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)acetic acid2-[5-oxo-1-benzyl-2-thioxo-1,3-diazolidin-4-yl]acetic acid4-Imidazolidineaceticacid, 5-oxo-1-(phenylmethyl)-2-thioxo-Oprea1_875305MLS001204386CHEMBL2138257SCHEMBL14680244DTXSID60386771
Show more names
CHEMBRDG-BB 5841495TIMTEC-BB SBB0074214-Imidazolidineacetic acid, 5-oxo-1-(phenylmethyl)-2-thioxo-(1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)acetic acid(SALTDATA: FREE)
(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acidHMS1684H14MFCD01460051SBB007421STK722010AKOS000300362AKOS022184428WAY-312320
Database identifiers
- CAS
52730-34-4- PubChem CID
- 2872068
- DTXSID
DTXSID60386771- ChEMBL
CHEMBL2138257
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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