AC1NECB1
14-methyl-7-propylsulfanyl-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: 10-methyl-5-(propylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|10-methyl-5-(propylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CAS: 877778-99-9
| Molecular Formula | C15H18N4S2 |
|---|---|
| Molecular Weight | 318.0973 g/mol |
| LogP | 3.9659 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0973 |
| Monoisotopic Mass | 318.0973 |
| Heavy Atoms | 21 |
| Complexity | 804.81433 |
Chemical Identifiers
| CAS Number | 877778-99-9 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)CCC(C3)C)C4=NC=NN41 |
Product Overview
AC1NECB1 (CAS 877778-99-9), with molecular formula C15H18N4S2 and molecular weight 318.0973 g/mol. IUPAC: 14-methyl-7-propylsulfanyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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