Basic information
- CAS
24147-50-0- Standard SMILES
CCCCCCCN1C(=O)CN(c2ccccc2)C1=S- InChIKey
KJGKVKNUHXSXOH-UHFFFAOYSA-N- Molecular formula
- C16H22N2OS
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.1452845
Names & identifiers
- Preferred name
- 4-Imidazolidinone, 3-heptyl-1-phenyl-2-thioxo-
- IUPAC
- 3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
- English name
- 3-heptyl-1-phenyl-2-thiohydantoin
- Molecular formula
- C16H22N2OS
- Molecular weight
- 290.42
Names & synonyms
24147-50-04-Imidazolidinone, 3-heptyl-1-phenyl-2-thioxo-EINECS 246-036-2Hydantoin, 3-heptyl-1-phenyl-2-thio-DTXSID9066960RefChem:524104DTXCID10370123-Heptyl-1-phenyl-2-thiohydantoin3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-oneSCHEMBL8976824KJGKVKNUHXSXOH-UHFFFAOYSA-NNS00027566
Show more names
3-Heptyl-1-phenyl-2-thioxoimidazolidin-4-one
Database identifiers
- CAS
24147-50-0- PubChem CID
- 90374
- DTXSID
DTXSID9066960- EC Number
- 246-036-2
- Nikkaji
- J242.740K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 385.2 · 385.2±25.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- -1.48 · -1.48±0.20(Predicted)
- EPA Substance Registry System
- 4 · 4-Imidazolidinone, 3-heptyl-1-phenyl-2-thioxo- (24147-50-0)
- 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 Information4-Imidazolidinone, 3-heptyl-1-phenyl-2-thioxo-: INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…