Basic information
- CAS
7343-59-1- Standard SMILES
CCCCCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HUXUNDRTPVNFNO-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- Sulfide, 2,4-dinitrophenyl hexyl
- IUPAC
- 1-hexylsulfanyl-2,4-dinitrobenzene
Names & synonyms
7343-59-1Sulfide, 2,4-dinitrophenyl hexylNSC99880Sulfide,4-dinitrophenyl hexylSCHEMBL9665036DTXSID50295146NSC-998801-(HEXYLSULFANYL)-2,4-DINITROBENZENE
Database identifiers
- CAS
7343-59-1- PubChem CID
- 264685
- DTXSID
DTXSID50295146
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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