![5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/577/577986-64-2.png)
5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 577986-64-2) is a chemical compound with molecular formula C25H20Cl2N4S3 and molecular weight 542.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzylsulfanyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-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-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 5-(benzylthio)-3-((2,6-dichlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C25H20Cl2N4S3 |
|---|---|
| Molecular Weight | 542.02 g/mol |
| LogP | 8.1092 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.0227 |
| Heavy Atoms | 34 |
| Complexity | 1476.9072 |
Chemical Identifiers
| CAS Number | 577986-64-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC5=C(C=CC=C5Cl)Cl)SCC6=CC=CC=C6 |
Product Overview
5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 577986-64-2), with molecular formula C25H20Cl2N4S3 and molecular weight 542.02 g/mol. IUPAC: 7-benzylsulfanyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 8.1092 indicates that 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 577986-64-2.
What is the molecular formula of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C25H20Cl2N4S3.
What is the molecular weight of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 542.02 g/mol.
Where can I buy 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-3-[(2,6-dichlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.