AC1LLLIB
4-[(4-methylphenoxy)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: Oprea1_343722|Oprea1_367858|BAS 01024196|AG-690/12869709|SR-01000438303-1|2-[(4-methylphenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-((p-tolyloxy)methyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CAS: 325831-91-2
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12012 g/mol |
| LogP | 4.10522 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12012 |
| Monoisotopic Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 1064.6057 |
Chemical Identifiers
| CAS Number | 325831-91-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5 |
Product Overview
AC1LLLIB (CAS 325831-91-2), with molecular formula C19H18N4OS and molecular weight 350.12012 g/mol. IUPAC: 4-[(4-methylphenoxy)methyl]-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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