![3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine structure](/static/products/578/578743-82-5.webp)
3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
TL;DR: 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CAS 578743-82-5) is a chemical compound with molecular formula C18H16ClN5S2 and molecular weight 401.05356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-chlorophenyl)methylsulfanyl]-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
Also Known As: 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine, 3-[(4-chlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine, 3-[(4-chlorobenzyl)thio]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Technical Specifications
| Molecular Formula | C18H16ClN5S2 |
| Molecular Weight | 401.05356 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.05356 Da |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=C(C=C5)Cl)N |
| InChIKey | QPDPRWXZGBRPQO-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Property Insights of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
The XLogP value of 5.7 indicates that 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine. Following Lipinski's Rule of Five, 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The CAS number of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is 578743-82-5.
What is the molecular formula of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The molecular formula of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is C18H16ClN5S2.
What is the molecular weight of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The molecular weight of 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine is 401.05356 g/mol.
Where can I buy 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
You can request a quote for 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
Yes, CoreyChem provides custom synthesis services for 3-((4-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.