Phenylthiohydantoic acid
Basic information
- CAS
2215-20-5- Standard SMILES
O=C(O)CNC(=S)Nc1ccccc1- InChIKey
UWTLARNSDZXILM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2S
- Average molar mass
- 210.26 g/mol
- Monoisotopic mass
- 210.04629874
Names & identifiers
- Preferred name
- Phenylthiohydantoic acid
- IUPAC
- 2-(phenylcarbamothioylamino)acetic acid
- English name
- 5-phenyl-4-thiohydantoic acid
- Molecular formula
- C9H10N2O2S
- Molecular weight
- 210.2529
Names & synonyms
2215-20-5Phenylthiohydantoic acidN-Phenyl-N'-carboxymethylthioureaN-Phenylthioureidoacetic acidGlycine, N-(phenylthiocarbamoyl)-USAF EK-734AHydantoic acid, 1-phenyl-alpha-thio-1-Phenyl-alpha-thiohydantoic acidGlycine, N-((phenylamino)thioxomethyl)-NSC 4880NSC 5570EINECS 218-676-2
Show more names
(phenylcarbamothioyl)glycine5-phenyl-4-thiohydantoic acidN-(Phenylthiocarbamoyl)glycine(3-Phenylthioureido)acetic acidN-(N-PHENYLTHIOCARBAMOYL)GLYCINE2-(3-Phenylthioureido)acetic acid1-phenyl-alpha-thio-hydantoic acid
V0HK644WMSU 7130BRN 2807195NSC-4880NSC-5570N-[(Phenylamino)thioxomethyl]glycineU-7130UNII-V0HK644WMS
Database identifiers
- CAS
2215-20-5- PubChem CID
- 3000722
- DTXSID
DTXSID70176680- ChEMBL
CHEMBL311337- UNII
- V0HK644WMS
- EC Number
- 218-676-2
- Nikkaji
- J49.449F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physicochemical properties
- FDA UNII
- 0 HK644WMS · V0HK644WMS
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] See Hydantoic acid.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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