1,2,3,4-Tetrathiepane
TL;DR: 1,2,3,4-Tetrathiepane (CAS 12163-21-2) is a chemical compound with molecular formula C3H6S4 and molecular weight 169.93524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrathiepane
Also Known As: tetrathiepane, 1,2,3,4-Tetrathiepane, 1-Butyldecyl 2-bromobenzoate, [1,2,3,4]Tetrathiepane, 1,2,3,4-tetrathiacycloheptane
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6S4 |
| Molecular Weight | 169.93524 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.93524 Da |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
| SMILES | C1CSSSSC1 |
| InChIKey | XWJXXFXDJDNFKB-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,4-Tetrathiepane
Property Insights of 1,2,3,4-Tetrathiepane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrathiepane. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrathiepane. Following Lipinski's Rule of Five, 1,2,3,4-Tetrathiepane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetrathiepane?
The CAS number of 1,2,3,4-Tetrathiepane is 12163-21-2.
What is the molecular formula of 1,2,3,4-Tetrathiepane?
The molecular formula of 1,2,3,4-Tetrathiepane is C3H6S4.
What is the molecular weight of 1,2,3,4-Tetrathiepane?
The molecular weight of 1,2,3,4-Tetrathiepane is 169.93524 g/mol.
Where can I buy 1,2,3,4-Tetrathiepane?
You can request a quote for 1,2,3,4-Tetrathiepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,4-Tetrathiepane?
Yes, CoreyChem provides custom synthesis services for 1,2,3,4-Tetrathiepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.