AC1MMT6W
14-ethyl-14-methyl-7-methylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-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-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|10-ethyl-10-methyl-5-(methylthio)-3-((4-nitrobenzyl)thio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CAS: 577985-16-1
| Molecular Formula | C21H21N5O3S3 |
|---|---|
| Molecular Weight | 487.08066 g/mol |
| LogP | 5.5028 |
| Topological Polar Surface Area | 95.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.08066 |
| Monoisotopic Mass | 487.08066 |
| Heavy Atoms | 32 |
| Complexity | 1334.4539 |
Chemical Identifiers
| CAS Number | 577985-16-1 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=C(C=C5)[N+](=O)[O-])C |
Product Overview
AC1MMT6W (CAS 577985-16-1), with molecular formula C21H21N5O3S3 and molecular weight 487.08066 g/mol. IUPAC: 14-ethyl-14-methyl-7-methylsulfanyl-5-[(4-nitrophenyl)methylsulfanyl]-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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