AC1L7J8S
7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|1,2,4-triazolo-5-methyl-8,9,10,11-tetrahydrobenzothienopyrimidine|7-Methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene|5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.07826 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.07826 |
| Monoisotopic Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 77995-40-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C4=NC=NN14 |
| InChIKey | WNFSSRDFJCDUAP-UHFFFAOYSA-N |
Product Overview
AC1L7J8S (CAS 77995-40-5), with molecular formula C12H12N4S and molecular weight 244.07826 g/mol. IUPAC: 7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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