Basic information
- CAS
88497-95-4- Standard SMILES
CS(=O)(=O)c1cccc(NC(N)=O)c1- InChIKey
PGITUQFRJFAVOC-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.04121336
Names & identifiers
- Preferred name
- Urea, (3-(methylsulfonyl)phenyl)-
- IUPAC
- (3-methylsulfonylphenyl)urea
- English name
- 3-(Methylsulfonyl)phenylurea
- Molecular formula
- C8H10N2O3S
- Molecular weight
- 214.24
Names & synonyms
3-Mesylphenylurea88497-95-4Urea, (3-(methylsulfonyl)phenyl)-DTXSID60237077RefChem:387105DTXCID601595683-MethanesulfonylphenylureaSCHEMBL3494987PGITUQFRJFAVOC-UHFFFAOYSA-NN-[3-(Methylsulfonyl)phenyl]ureaN-[3-(Methanesulfonyl)phenyl]urea3-(Methylsulfonyl)phenylurea
Show more names
1-[3-(Methylsulfonyl)phenyl]urea
Database identifiers
- CAS
88497-95-4- PubChem CID
- 94697
- DTXSID
DTXSID60237077- Nikkaji
- J373.669E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
LogP-0.1
Physicochemical properties
- Boiling point
- 426.112 · 426.112±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.191 · 14.191±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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