UNII-7XPP3587EJ
2,12-dichloro-6,16-dimethyl-10,20-dithia-4,5,7,8,14,15,17,18-octazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,6,8,11,13,16,18-octaene
Also Known As: dichloro(dimethyl)[?]|5,11-Dichloro-3,9-dimethyl-6,12-dithia-1,2,3a,4,7,8,9a,10-octaaza-dicyclopenta(b,i)anthracene|6,13-dichloro-3,10-dimethylbistriazolobisthiadiazine|1,2,4-TRIAZOLO(3,4-B)(1,2,4)TRIAZOLO(3',4':2,3)(1,3,4)THIADIAZINO(6,5-G)(1,3,4)BENZOTHIADIAZINE, 6,13-DICHLORO-3,10-DIMETHYL-|6,13-DICHLORO-3,10-DIMETHYL-1,2,4-TRIAZOLO(3,4-B)(1,2,4)TRIAZOLO(3',4':2,3)(1,3,4)THIADIAZINO(6,5-G)(1,3,4)BENZOTHIADIAZINE|5,11-Dichloro-3,9-dimethyl-6,12-dithia-1,2,3a,4,7,8,9a,10-octaaza-dicyclopenta[b,i]anthracene|6,13-Dichloro-3,10-dimethylbis[1,2,4]triazolo[3,4-b:3,4-b']benzo[1,2-e:4,5-e']bis[1,3,4]thiadiazine
| Molecular Formula | C12H6Cl2N8S2 |
|---|---|
| Molecular Weight | 395.9534 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 395.9534 |
| Monoisotopic Mass | 395.9534 |
| Heavy Atoms | 24 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 69560-87-8 |
|---|---|
| SMILES | CC1=NN=C2N1N=C3C(=C(C4=NN5C(=NN=C5SC4=C3Cl)C)Cl)S2 |
| InChIKey | IPNGGVLIFDQZDO-UHFFFAOYSA-N |
Product Overview
UNII-7XPP3587EJ (CAS 69560-87-8), with molecular formula C12H6Cl2N8S2 and molecular weight 395.9534 g/mol. IUPAC: 2,12-dichloro-6,16-dimethyl-10,20-dithia-4,5,7,8,14,15,17,18-octazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,6,8,11,13,16,18-octaene.
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