AC1N9RD7
7-benzylsulfanyl-5-heptylsulfanyl-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-(benzylsulfanyl)-3-(heptylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|5-(benzylthio)-3-(heptylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
CAS: 577761-36-5
| Molecular Formula | C25H30N4S3 |
|---|---|
| Molecular Weight | 482.16327 g/mol |
| LogP | 7.5726 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 482.16327 |
| Monoisotopic Mass | 482.16327 |
| Heavy Atoms | 32 |
| Complexity | 1182.5591 |
Chemical Identifiers
| CAS Number | 577761-36-5 |
|---|---|
| SMILES | CCCCCCCSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)SCC5=CC=CC=C5 |
Product Overview
AC1N9RD7 (CAS 577761-36-5), with molecular formula C25H30N4S3 and molecular weight 482.16327 g/mol. IUPAC: 7-benzylsulfanyl-5-heptylsulfanyl-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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