AC1LXJMJ
7-(2-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-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: 5-(2-chlorophenyl)-3-((2-methylallyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|5-(2-chlorophenyl)-3-[(2-methylprop-2-en-1-yl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H19ClN4S2 |
|---|---|
| Molecular Weight | 426.07397 g/mol |
| LogP | 6.2064 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.07397 |
| Monoisotopic Mass | 426.07397 |
| Heavy Atoms | 28 |
| Complexity | 1224.3229 |
Chemical Identifiers
| CAS Number | 799792-71-5 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5Cl |
Product Overview
AC1LXJMJ (CAS 799792-71-5), with molecular formula C21H19ClN4S2 and molecular weight 426.07397 g/mol. IUPAC: 7-(2-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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