1-Methoxy-4-methyl-2-[(4-nitrophenyl)sulfanyl]benzene
Basic information
- CAS
5465-76-9- Standard SMILES
COc1ccc(C)cc1Sc1ccc([N+](=O)[O-])cc1- InChIKey
GHTKILHJFVGBJF-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.06161445
Names & identifiers
- Preferred name
- 1-Methoxy-4-methyl-2-[(4-nitrophenyl)sulfanyl]benzene
- IUPAC
- 1-methoxy-4-methyl-2-(4-nitrophenyl)sulfanylbenzene
Names & synonyms
5465-76-91-methoxy-4-methyl-2-(4-nitrophenyl)sulfanylbenzene1-methoxy-4-methyl-2-[(4-nitrophenyl)sulfanyl]benzeneNSC25838DTXSID40282429NSC-25838
Database identifiers
- CAS
5465-76-9- PubChem CID
- 230698
- DTXSID
DTXSID40282429
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…