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Basic information
- Standard SMILES
CSc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1- InChIKey
SQUQXENYEOUAQM-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.08341252
Names & identifiers
- Preferred name
- N-(2-methyl-4-nitrophenyl)-N'-[4-(methylthio)phenyl]urea
- IUPAC
- 1-(2-methyl-4-nitrophenyl)-3-(4-methylsulfanylphenyl)urea
Names & synonyms
NSC205012AKOS024338200NSC-205012N-(2-methyl-4-nitrophenyl)-N'-[4-(methylthio)phenyl]urea
Database identifiers
- PubChem CID
- 307199
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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