Basic information
- CAS
7772-37-4- Standard SMILES
O=C1NC(=O)C(c2ccccc2)(c2cccs2)N1- InChIKey
DCPACFSINCUFEC-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629874
Overview
Phethenylate is an imidazolidine-2,4-dione.
Names & identifiers
- Preferred name
- Thiantoin
- IUPAC
- 5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dione
Names & synonyms
ThiantoinPhethenylateThiantoineThyphenytoin7772-37-4UNII-V1989D4JPBV1989D4JPB5-phenyl-5-thiophen-2-ylimidazolidine-2,4-dioneNSC 4006532,4-Imidazolidinedione, 5-phenyl-5-(2-thienyl)-Hydantoin, 5-phenyl-5-(2-thienyl)-NSC-400653
Show more names
TiantoinaNSC400653SCHEMBL10524328CHEBI:135065DCPACFSINCUFEC-UHFFFAOYSA-N2, 5-phenyl-5-(2-thienyl)-DTXSID6010246115-Phenyl-5-(2-thienyl)-hydantoin
Database identifiers
- CAS
7772-37-4- PubChem CID
- 31325
- DTXSID
DTXSID601024611- ChEBI
CHEBI:135065- UNII
- V1989D4JPB
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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