Basic information
- CAS
40939-91-1- Standard SMILES
O=S(=O)(c1ccccc1N=C=S)c1ccccc1N=C=S- InChIKey
OUMDLRNQGOKXMQ-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2S3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 331.97479102
Names & identifiers
- Preferred name
- Bis(2-isothiocyanatophenyl) sulfone
- IUPAC
- 1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene
Names & synonyms
40939-91-1bis(2-isothiocyanatophenyl) sulfoneNSC142074SCHEMBL11117613DTXSID30301254NSC-1420741,1'-sulfonylbis(2-isothiocyanatobenzene)
Database identifiers
- CAS
40939-91-1- PubChem CID
- 285258
- DTXSID
DTXSID30301254
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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