1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene
3,5-dioxa-4λ4,9λ6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide
Also Known As: Hep-IV|1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene|3,5-dioxa-4lambda4,9lambda6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide|5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene, 6,6-dioxide|5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene,6,6-dioxide|5H-2,3-Dioxa-2alambda~4~,6lambda~6~-dithia-1,4-diazacyclopenta[cd]indene-6,6(7H)-dione
| Molecular Formula | C5H4N2O4S2 |
|---|---|
| Molecular Weight | 219.96124 g/mol |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.96124 |
| Monoisotopic Mass | 219.96124 |
| Heavy Atoms | 13 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 85579-27-7 |
|---|---|
| SMILES | C1C2=NOS3=C2C(=NO3)CS1(=O)=O |
| InChIKey | IHDOGRRSSMKJIK-UHFFFAOYSA-N |
Product Overview
1,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentalene (CAS 85579-27-7), with molecular formula C5H4N2O4S2 and molecular weight 219.96124 g/mol. IUPAC: 3,5-dioxa-4λ4,9λ6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide.