1,6,6a-三硫杂戊搭烯
TL;DR: 1,6,6a-三硫杂戊搭烯 (CAS 2567-55-7) is a chemical compound with molecular formula C1=CSS2=C1C=CS2 and molecular weight 159.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6,6a-三硫杂戊搭烯
1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: Thiothiophthene, Trithiapentalene, 6a-Thiathiophthene, Thiathiophthen, Thiathiophthene
| Molecular Formula | C1=CSS2=C1C=CS2 |
|---|---|
| Molecular Weight | 159.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.94751 |
| Heavy Atoms | 8 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 2567-55-7 |
|---|---|
| SMILES | C1=CSS2=C1C=CS2 |
| InChIKey | JUEJPBZMWHMMPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6,6a-三硫杂戊搭烯 (CAS 2567-55-7), with molecular formula C1=CSS2=C1C=CS2 and molecular weight 159.95 g/mol. IUPAC: 1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of 1,6,6a-三硫杂戊搭烯
Property Insights of 1,6,6a-三硫杂戊搭烯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6,6a-三硫杂戊搭烯. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6,6a-三硫杂戊搭烯. Following Lipinski's Rule of Five, 1,6,6a-三硫杂戊搭烯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6,6a-三硫杂戊搭烯?
The CAS number of 1,6,6a-三硫杂戊搭烯 is 2567-55-7.
What is the molecular formula of 1,6,6a-三硫杂戊搭烯?
The molecular formula of 1,6,6a-三硫杂戊搭烯 is C1=CSS2=C1C=CS2.
What is the molecular weight of 1,6,6a-三硫杂戊搭烯?
The molecular weight of 1,6,6a-三硫杂戊搭烯 is 159.95 g/mol.
Where can I buy 1,6,6a-三硫杂戊搭烯?
You can request a quote for 1,6,6a-三硫杂戊搭烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,6a-三硫杂戊搭烯?
Yes, KEHONG BIO provides custom synthesis services for 1,6,6a-三硫杂戊搭烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.