Basic information
- CAS
27691-52-7- Standard SMILES
CS(C)=Nc1ccc([N+](=O)[O-])cc1- InChIKey
POZIUJIGHWDMHI-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2S
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.04629874
Names & identifiers
- Preferred name
- Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-
- IUPAC
- dimethyl-(4-nitrophenyl)imino-λ4-sulfane
Names & synonyms
Sulfilimine, S,S-dimethyl-N-(4-nitrophenyl)-27691-52-7DTXSID60314731RefChem:382573DTXCID00265854NSC287993SCHEMBL14000038POZIUJIGHWDMHI-UHFFFAOYSA-NNSC-287993Sulfane, dimethyl(4-nitrophenylimino)-1-[(Dimethyl-lambda~4~-sulfanylidene)amino]-4-nitrobenzene
Database identifiers
- CAS
27691-52-7- PubChem CID
- 324072
- DTXSID
DTXSID60314731- Nikkaji
- J1.195.039F、J549.366H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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