Basic information
- CAS
24519-31-1- Standard SMILES
O=C1C2=C(SCCS2)C(=O)N1c1ccccc1- InChIKey
FQEBEMGOPCBXPY-UHFFFAOYSA-N- Molecular formula
- C12H9NO2S2
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.00747088
Names & identifiers
- Preferred name
- p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-phenyl-
- IUPAC
- 6-phenyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
- English name
- 5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-6-phenyl-
- Molecular formula
- C12H9NO2S2
- Molecular weight
- 263.34
Names & synonyms
BRN 095966124519-31-1p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-PHENYL-5,6-Dihydro-N-phenyl-p-dithiin-2,3-dicarboximideDTXSID801792685H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-phenyl-RefChem:367686DTXCID101017596-phenyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dioneMLS0001063496-phenyl-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dioneSMR000103318
Show more names
6-PHENYL-2,3-DIHYDRO-(1,4)DITHIINO(2,3-C)PYRROLE-5,7-DIONE5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-6-phenyl-
Oprea1_168238Oprea1_480615cid_32475CHEMBL1559962SCHEMBL11836922BDBM52211HMS2465A21AKOS024331164
Database identifiers
- CAS
24519-31-1- PubChem CID
- 32475
- DTXSID
DTXSID80179268- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 410.1 · 410.1±45.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -0.84 · -0.84±0.20(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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