9,9-Dimethyl-2,4,6,8-tetrathiaadamantane
TL;DR: 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane (CAS 17749-63-2) is a chemical compound with molecular formula C8H12S4 and molecular weight 235.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
Also Known As: 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane, 2,4,6,8-Tetrathiaadamantane, 9,9-dimethyl-, 9,9-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane, 9,9-Dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.1~3,7~]decane, (1r,3r)-9,9-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
| Molecular Formula | C8H12S4 |
|---|---|
| Molecular Weight | 235.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.98218 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 17749-63-2 |
|---|---|
| SMILES | CC1(C2SC3CC(S2)SC1S3)C |
| InChIKey | OLIBXUSGVVLUCZ-UHFFFAOYSA-N |
Product Overview
9,9-Dimethyl-2,4,6,8-tetrathiaadamantane (CAS 17749-63-2), with molecular formula C8H12S4 and molecular weight 235.98 g/mol. IUPAC: 9,9-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane
Property Insights of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane
The XLogP value of 4.3 indicates that 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane. Following Lipinski's Rule of Five, 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane 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
Frequently Asked Questions
What is the CAS number of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane?
The CAS number of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane is 17749-63-2.
What is the molecular formula of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane?
The molecular formula of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane is C8H12S4.
What is the molecular weight of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane?
The molecular weight of 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane is 235.98 g/mol.
Where can I buy 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane?
You can request a quote for 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 9,9-Dimethyl-2,4,6,8-tetrathiaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.