Basic information
- CAS
365-55-9- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
JZOKZEROYRPYIF-UHFFFAOYSA-N- Molecular formula
- C14H6F6N2O4S
- Average molar mass
- 412.27 g/mol
- Monoisotopic mass
- 411.99524682
Names & identifiers
- Preferred name
- 2-Nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(trifluoromethyl)benzene
- IUPAC
- 2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(trifluoromethyl)benzene
- English name
- Benzene,1,1'-thiobis[2-nitro-4-(trifluoromethyl)- (9CI)
- Molecular formula
- C14H6F6N2O4S
- Molecular weight
- 412.2638592
Names & synonyms
CHEMBL204687365-55-91,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene]NSC39135bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane2-nitro-1-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(trifluoromethyl)benzeneDTXSID10284814BDBM50182125NSC-39135STK213636AKOS0036714252-nitro-1-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-(trifluoromethyl)benzene
Show more names
Benzene,1,1'-thiobis[2-nitro-4-(trifluoromethyl)- (9CI)
Database identifiers
- CAS
365-55-9- PubChem CID
- 236554
- DTXSID
DTXSID10284814- ChEMBL
CHEMBL204687
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 391.4 · 391.4±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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