4,6- Dibromo-thieno[3, 4- c] [1, 2, 5] thiadiazole- 2- SIV - CAS 238756-91-7
Catalog: |
BB066568 |
Product Name: |
4,6- Dibromo-thieno[3, 4- c] [1, 2, 5] thiadiazole- 2- SIV |
CAS: |
238756-91-7 |
Synonyms: |
4,6-Dibromo-thieno[3,4-c][1,2,5]thiadiazole-2-SIV; 6,8-dibromo-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene |
IUPAC Name: | 6,8-dibromo-3λ4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraene |
Description: | 4,6- Dibromo-thieno[3, 4- c] [1, 2, 5] thiadiazole- 2- SIV is used as a reactant in the preparation of TCNQ analogs composed of heterocyclic rings. |
Molecular Weight: | 299.99 |
Molecular Formula: | C4Br2N2S2 |
Canonical SMILES: | C12=C(SC(=C1N=S=N2)Br)Br |
InChI: | InChI=1S/C4Br2N2S2/c5-3-1-2(4(6)9-3)8-10-7-1 |
InChI Key: | BWZXAJOLRNMCBR-UHFFFAOYSA-N |
References: | Suzuki, K., et al. Synth. Met., 102, 1480 (1999). |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.78492 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.78697 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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