Basic information
- CAS
81263-11-8- Standard SMILES
CNC(=O)Nc1ccc(C2(C)SCCS2)cc1- InChIKey
ZCOOGDLDEJSUGB-UHFFFAOYSA-N- Molecular formula
- C12H16N2OS2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.07040549
Names & identifiers
- Preferred name
- 1-Methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
- IUPAC
- 1-methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
Names & synonyms
81263-11-81-methyl-3-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]ureaNSC377843DTXSID30321573NSC-377843N-Methyl-N'-[4-(2-methyl-1,3-dithiolan-2-yl)phenyl]urea
Database identifiers
- CAS
81263-11-8- PubChem CID
- 342192
- DTXSID
DTXSID30321573
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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