1-Methoxy-4-methyl-2-[(4-methyl-2-nitrophenyl)sulfanyl]benzene
Basic information
- CAS
5465-79-2- Standard SMILES
COc1ccc(C)cc1Sc1ccc(C)cc1[N+](=O)[O-]- InChIKey
WUGQHRNIFCWOGX-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- 1-Methoxy-4-methyl-2-[(4-methyl-2-nitrophenyl)sulfanyl]benzene
- IUPAC
- 1-methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfanylbenzene
Names & synonyms
5465-79-21-methoxy-4-methyl-2-(4-methyl-2-nitrophenyl)sulfanylbenzene1-methoxy-4-methyl-2-[(4-methyl-2-nitrophenyl)sulfanyl]benzeneNSC25842DTXSID70282432NSC-25842
Database identifiers
- CAS
5465-79-2- PubChem CID
- 230702
- DTXSID
DTXSID70282432
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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