1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-(2-pyridinyl)-
Basic information
- CAS
237401-51-3- Standard SMILES
S=c1sc2c(s1)SC(c1ccccn1)CS2- InChIKey
XKQOZOYIRPBWPU-UHFFFAOYSA-N- Molecular formula
- C10H7NS5
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 300.9182051
Names & identifiers
- Preferred name
- 1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-(2-pyridinyl)-
- IUPAC
- 5-pyridin-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Names & synonyms
237401-51-31,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-(2-pyridinyl)-DTXSID104136225-(2-pyridyl)-5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione5-(Pyridin-2-yl)-5,6-dihydro-2H-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Database identifiers
- CAS
237401-51-3- PubChem CID
- 5255477
- DTXSID
DTXSID10413622- Nikkaji
- J2.002.804A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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