5,7-Di-2-thienylthieno[3,4-b]pyrazine
Basic information
- CAS
156645-42-0- Standard SMILES
c1csc(-c2sc(-c3cccs3)c3nccnc23)c1- InChIKey
FQDGUWXAKHTHRK-UHFFFAOYSA-N- Molecular formula
- C14H8N2S3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 299.98496178
Names & identifiers
- Preferred name
- 5,7-Di-2-thienylthieno[3,4-b]pyrazine
- IUPAC
- 5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
- English name
- Thieno[3,4-b]pyrazine, 5,7-di-2-thienyl-
- Molecular formula
- C14H8N2S3
- Molecular weight
- 300.42
Names & synonyms
SCHEMBL9927348DTXSID3013385125,7-Di-2-thienylthieno[3,4-b]pyrazine5,7-dithien-2-ylthieno[3,4-b]pyrazine156645-42-0Thieno[3,4-b]pyrazine, 5,7-di-2-thienyl-5,?7-?di-?2-?thienyl-Thieno[3,?4-?b]?pyrazine
Database identifiers
- CAS
156645-42-0- PubChem CID
- 67968415
- DTXSID
DTXSID301338512- Nikkaji
- J2.010.363I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Boiling point
- 469.2 · 469.2±40.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 0.08 · 0.08±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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