1,3-Bis(2H-1,3-dithiol-2-ylidene)-1,3,4,9-tetrahydrothieno[3,4-b]quinoxaline
Basic information
- CAS
820970-27-2- Standard SMILES
C1=CSC(=c2sc(=C3SC=CS3)c3c2Nc2ccccc2N3)S1- InChIKey
XQSXTMKMLMQBIA-UHFFFAOYSA-N- Molecular formula
- C16H10N2S5
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 389.9447542
Names & identifiers
- Preferred name
- 1,3-Bis(2H-1,3-dithiol-2-ylidene)-1,3,4,9-tetrahydrothieno[3,4-b]quinoxaline
- IUPAC
- 1,3-bis(1,3-dithiol-2-ylidene)-4,9-dihydrothieno[3,4-b]quinoxaline
Names & synonyms
820970-27-21,3-Bis(2H-1,3-dithiol-2-ylidene)-1,3,4,9-tetrahydrothieno[3,4-b]quinoxalineDTXSID40839396
Database identifiers
- CAS
820970-27-2- PubChem CID
- 71420189
- DTXSID
DTXSID40839396
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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