Basic information
- CAS
5070-14-4- Standard SMILES
O=[N+]([O-])c1ccc(OC(=S)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
FICYQLPUFKQUKP-UHFFFAOYSA-N- Molecular formula
- C13H8N2O6S
- Average molar mass
- 320.28 g/mol
- Monoisotopic mass
- 320.01030715
Names & identifiers
- Preferred name
- O,O-Bis(4-nitrophenyl) carbonothioate
- IUPAC
- bis(4-nitrophenoxy)methanethione
Names & synonyms
o,o-bis(4-nitrophenyl) carbonothioateDTXSID909649455070-14-4RefChem:366236DTXCID901392625NSC100975NSC-100975O,O'-Bis-(p-nitrophenyl)-thiocarbonat
Database identifiers
- CAS
5070-14-4- PubChem CID
- 265151
- DTXSID
DTXSID90964945- Nikkaji
- J903.037I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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