Hydantoin, 3-(p-methoxyphenyl)-2-thio-
Basic information
- CAS
39123-62-1- Standard SMILES
COc1ccc(N2C(=O)CNC2=S)cc1- InChIKey
CMXIZNWHIOYYKH-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- Hydantoin, 3-(p-methoxyphenyl)-2-thio-
- IUPAC
- 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
- English name
- 3-(4-Methoxyphenyl)-2-thioxotetrahydro-4H-imidazol-4-one
- Molecular formula
- C10H10N2O2S
- Molecular weight
- 222.26
Names & synonyms
39123-62-13-(p-Methoxyphenyl)-2-thiohydantoinBRN 0188420Hydantoin, 3-(p-methoxyphenyl)-2-thio-4-Imidazolidinone, 3-(4-methoxyphenyl)-2-thioxo-DTXSID801923765-24-05-00248 (Beilstein Handbook Reference)RefChem:347925DTXCID901148673-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-oneMFCD00975531
Show more names
3-(4-methoxyphenyl)-2-thioxotetrahydro-4H-imidazol-4-one3-(4-methoxyphenyl)-2-thioxo-4-imidazolidinoneOprea1_715973SCHEMBL1240050CHEMBL1362058REGID_for_CID_757480CMXIZNWHIOYYKH-UHFFFAOYSA-NHMS2519M14
Database identifiers
- CAS
39123-62-1- PubChem CID
- 757480
- DTXSID
DTXSID80192376- ChEMBL
CHEMBL1362058- Nikkaji
- J788.670E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 352.6 · 352.6±44.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 11.53 · 11.53±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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