![(1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane structure](/static/products/2365/23657-27-4.webp)
(1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
TL;DR: (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane (CAS 23657-27-4) is a chemical compound with molecular formula C7H10S3 and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
Also Known As: 3,4,5-Trithiatricyclo[5.2.1.0(2,6)]decane, (3aS,7aR)-Hexahydro-4beta,7beta-methanobenzotrithiole, (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane, (1alpha,2beta,6beta,7alpha)-3,4,5-Trithiatricyclo[5.2.1.02,6]decane, (1beta,2alpha,6alpha,7beta)-3,4,5-Trithiatricyclo[5.2.1.02,6]decane
| Molecular Formula | C7H10S3 |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.99446 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 23657-27-4 |
|---|---|
| SMILES | C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2SSS3 |
| InChIKey | SBQNMCWSECNNTA-RNGGSSJXSA-N |
Product Overview
(1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane (CAS 23657-27-4), with molecular formula C7H10S3 and molecular weight 189.99 g/mol. IUPAC: (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane.
Chemical Property Profile of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
Property Insights of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane. Following Lipinski's Rule of Five, (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane 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 (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane?
The CAS number of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane is 23657-27-4.
What is the molecular formula of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane?
The molecular formula of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane is C7H10S3.
What is the molecular weight of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane?
The molecular weight of (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane is 189.99 g/mol.
Where can I buy (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane?
You can request a quote for (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,6R,7S)-3,4,5-trithiatricyclo[5.2.1.02,6]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.