1-(Methyldisulfanyl)-4-nitrobenzene
Basic information
- CAS
63296-21-9- Standard SMILES
CSSc1ccc([N+](=O)[O-])cc1- InChIKey
LCRFNNFXXDNMOV-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S2
- Average molar mass
- 201.3 g/mol
- Monoisotopic mass
- 200.99182081
Names & identifiers
- Preferred name
- 1-(Methyldisulfanyl)-4-nitrobenzene
- IUPAC
- 1-(methyldisulfanyl)-4-nitrobenzene
Names & synonyms
63296-21-91-(methyldisulfanyl)-4-nitrobenzeneDisulfide, methyl 4-nitrophenyl1-methyl-2-(4-nitrophenyl)disulfaneCHEMBL459661SCHEMBL4908007DTXSID903331371-Methyldisulfanyl-4-nitro-benzene1-(methyldisulfanyl)-4-nitro-benzene
Database identifiers
- CAS
63296-21-9- PubChem CID
- 485597
- DTXSID
DTXSID90333137- ChEMBL
CHEMBL459661- Nikkaji
- J600.121A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…