Basic information
- CAS
24519-29-7- Standard SMILES
O=C1C2=C(SCCS2)C(=O)N1CCO- InChIKey
KLZAKDGHSDAAEA-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.0023855
Names & identifiers
- Preferred name
- p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-hydroxyethyl)-
- IUPAC
- 6-(2-hydroxyethyl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Names & synonyms
BRN 0959338p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-(2-HYDROXYETHYL)-24519-29-75,6-Dihydro-N-(2-hydroxyethyl)-p-dithiin-2,3-dicarboximideDTXSID201792675H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-hydroxyethyl)-RefChem:367679DTXCID501017586-(2-Hydroxyethyl)-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
Database identifiers
- CAS
24519-29-7- PubChem CID
- 32474
- DTXSID
DTXSID20179267
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…