Basic information
- CAS
85896-13-5- Standard SMILES
COc1cc([N+](=O)[O-])c(OC)cc1Sc1ccc(C)cc1- InChIKey
PDJISJMRQRYBGA-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217913
Names & identifiers
- Preferred name
- 1,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzene
- IUPAC
- 1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
- English name
- 1,4-dimethoxy-5-nitro-2-(p-tolylthio)benzene
- Molecular formula
- C15H15NO4S
- Molecular weight
- 305.35
Names & synonyms
85896-13-51,4-Dimethoxy-5-nitro-2-(p-tolylthio)benzeneUIW9V5VA8U(2,5-Dimethoxy-4-nitrophenyl)(p-tolyl)sulfane1,4-dimethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzeneEINECS 288-791-0UNII-UIW9V5VA8U1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzeneOprea1_521511Oprea1_535033DTXSID00235214PDJISJMRQRYBGA-UHFFFAOYSA-N
Show more names
2,5-Dimethoxy-1-nitro-4-(p-tolylthio)benzene2,5-DIMETHOXY-4-{(4-METHYLPHENYL)THIO}NITROBENZENE1,4-Dimethoxy-2-[(4-methylphenyl)-thio]-5-nitrobenzeneBenzene, 1,4-dimethoxy-2-[(4-methylphenyl)thio]-5-nitro-
STK368242AKOS000560220CS-0362807NS00039094ST510615241,4-dimethoxy-2-nitro-5-(p-tolylsulfanyl)benzene2,5-dimethoxy-4-(4-methylphenylthio)-1-nitrobenzeneBENZENE, 1,4-DIMETHOXY-2-((4-METHYLPHENYL)THIO)-5-NITRO-
Database identifiers
- CAS
85896-13-5- PubChem CID
- 835682
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- FDA UNII
- 9 V5VA8U · UIW9V5VA8U
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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