AC1L7J8Y
5,7-dimethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3,5-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|BAS 00561067|AE-848/33852040|SR-01000503793-1|3,5-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4|5,7-dimethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene|3,4-Dimethyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene|3,5-dimethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.0939 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.0939 |
| Monoisotopic Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 78041-95-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)C |
| InChIKey | HZTFNWZISKIRNG-UHFFFAOYSA-N |
Product Overview
AC1L7J8Y (CAS 78041-95-9), with molecular formula C13H14N4S and molecular weight 258.0939 g/mol. IUPAC: 5,7-dimethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.