![3,7-Dithiatricyclo[3.3.2.01,5]decane structure](/static/products/2165/21650-07-7.webp)
3,7-Dithiatricyclo[3.3.2.01,5]decane
TL;DR: 3,7-Dithiatricyclo[3.3.2.01,5]decane (CAS 21650-07-7) is a chemical compound with molecular formula C8H12S2 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dithiatricyclo[3.3.2.01,5]decane
Also Known As: 3,7-dithiatricyclo[3.3.2.01,5]decane, HPEXWFZEWWAJDS-UHFFFAOYSA-, 3,7-Dithia-tricyclo<3.3.2.01.5>decan, 1H,3H,4H,6H-3a,6a-Ethanothieno[3,4-c]thiophene, InChI=1/C8H12S2/c1-2-8-5-9-3-7(1,8)4-10-6-8/h1-6H2
| Molecular Formula | C8H12S2 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.03804 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 21650-07-7 |
|---|---|
| SMILES | C1CC23C1(CSC2)CSC3 |
| InChIKey | HPEXWFZEWWAJDS-UHFFFAOYSA-N |
Product Overview
3,7-Dithiatricyclo[3.3.2.01,5]decane (CAS 21650-07-7), with molecular formula C8H12S2 and molecular weight 172.04 g/mol. IUPAC: 3,7-dithiatricyclo[3.3.2.01,5]decane.
Chemical Property Profile of 3,7-Dithiatricyclo[3.3.2.01,5]decane
Property Insights of 3,7-Dithiatricyclo[3.3.2.01,5]decane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dithiatricyclo[3.3.2.01,5]decane. With a topological polar surface area (TPSA) of 50.6 Ų, 3,7-Dithiatricyclo[3.3.2.01,5]decane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dithiatricyclo[3.3.2.01,5]decane has 0 hydrogen bond donor(s) and 2 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 3,7-Dithiatricyclo[3.3.2.01,5]decane?
The CAS number of 3,7-Dithiatricyclo[3.3.2.01,5]decane is 21650-07-7.
What is the molecular formula of 3,7-Dithiatricyclo[3.3.2.01,5]decane?
The molecular formula of 3,7-Dithiatricyclo[3.3.2.01,5]decane is C8H12S2.
What is the molecular weight of 3,7-Dithiatricyclo[3.3.2.01,5]decane?
The molecular weight of 3,7-Dithiatricyclo[3.3.2.01,5]decane is 172.04 g/mol.
Where can I buy 3,7-Dithiatricyclo[3.3.2.01,5]decane?
You can request a quote for 3,7-Dithiatricyclo[3.3.2.01,5]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dithiatricyclo[3.3.2.01,5]decane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dithiatricyclo[3.3.2.01,5]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.