Basic information
- CAS
90508-76-2- Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)SC(Cl)(Cl)Cl)c1- InChIKey
PEDSOEPRNXFMAE-UHFFFAOYSA-N- Molecular formula
- C7H4Cl3NO4S2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 334.864733
Names & identifiers
- Preferred name
- S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioate
- IUPAC
- 1-nitro-3-(trichloromethylsulfanylsulfonyl)benzene
Names & synonyms
90508-76-2NSC85677NCIOpen2_009288S-(Trichloromethyl) 3-nitrobenzene-1-sulfonothioateDTXSID80920353NSC-85677S-Trichloromethyl 3-nitrobenzene-1-sulfonothioate
Database identifiers
- CAS
90508-76-2- PubChem CID
- 257567
- DTXSID
DTXSID80920353
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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