Basic information
- CAS
87623-19-6- Standard SMILES
CNC(=O)Nc1cccc(C2(C)OCCS2)c1- InChIKey
CUTYUASQPSPNRU-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- 1-Methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
- IUPAC
- 1-methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]urea
Names & synonyms
1-methyl-3-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]ureaNSC37784287623-19-6N-Methyl-N'-[3-(2-methyl-1,3-oxathiolan-2-yl)phenyl]ureaDTXSID70321572NSC-377842
Database identifiers
- CAS
87623-19-6- PubChem CID
- 342191
- DTXSID
DTXSID70321572
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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