C21H22N4OS3
14,14-dimethyl-7-methylsulfanyl-5-(2-phenylethylsulfanyl)-13-oxa-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: 10,10-dimethyl-5-(methylsulfanyl)-3-[(2-phenylethyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|10,10-dimethyl-5-(methylthio)-3-(phenethylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CAS: 799784-92-2
| Molecular Formula | C21H22N4OS3 |
|---|---|
| Molecular Weight | 442.09558 g/mol |
| LogP | 5.247 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.09558 |
| Monoisotopic Mass | 442.09558 |
| Heavy Atoms | 29 |
| Complexity | 1183.2983 |
Chemical Identifiers
| CAS Number | 799784-92-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCCC5=CC=CC=C5)C |
Product Overview
C21H22N4OS3 (CAS 799784-92-2), with molecular formula C21H22N4OS3 and molecular weight 442.09558 g/mol. IUPAC: 14,14-dimethyl-7-methylsulfanyl-5-(2-phenylethylsulfanyl)-13-oxa-10-thia-3,4,6,8-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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