AC1LR5KQ
3,8-bis(2-methylprop-2-enylsulfanyl)-18-thia-2,4,5,7,9,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene
Also Known As: 3,7-bis((2-methylallyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine|3,7-bis[(2-methylprop-2-en-1-yl)sulfanyl]-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
| Molecular Formula | C19H20N6S3 |
|---|---|
| Molecular Weight | 428.09116 g/mol |
| LogP | 4.8118 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.09116 |
| Monoisotopic Mass | 428.09116 |
| Heavy Atoms | 28 |
| Complexity | 1261.6339 |
Chemical Identifiers
| CAS Number | 488137-95-7 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C5=NN=C(N52)SCC(=C)C |
Product Overview
AC1LR5KQ (CAS 488137-95-7), with molecular formula C19H20N6S3 and molecular weight 428.09116 g/mol. IUPAC: 3,8-bis(2-methylprop-2-enylsulfanyl)-18-thia-2,4,5,7,9,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene.
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