3-Methyl-2,4,6,8,9-pentathiaadamantane
TL;DR: 3-Methyl-2,4,6,8,9-pentathiaadamantane (CAS 57274-63-2) is a chemical compound with molecular formula C6H8S5 and molecular weight 239.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane
Also Known As: 3-Methyl-2,4,6,8,9-pentathiaadamantane, 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane, 3-methyl-, 2,4,6,8,9-Pentathiatricyclo[3.3.1.13,7]decane, 3-methyl-
| Molecular Formula | C6H8S5 |
|---|---|
| Molecular Weight | 239.92 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.92296 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 57274-63-2 |
|---|---|
| SMILES | CC12CC3SC(S1)SC(S3)S2 |
| InChIKey | BKKBBOTZBRAEGY-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,4,6,8,9-pentathiaadamantane (CAS 57274-63-2), with molecular formula C6H8S5 and molecular weight 239.92 g/mol. IUPAC: 3-methyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 3-Methyl-2,4,6,8,9-pentathiaadamantane
Property Insights of 3-Methyl-2,4,6,8,9-pentathiaadamantane
The XLogP value of 4.2 indicates that 3-Methyl-2,4,6,8,9-pentathiaadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2,4,6,8,9-pentathiaadamantane. Following Lipinski's Rule of Five, 3-Methyl-2,4,6,8,9-pentathiaadamantane has 0 hydrogen bond donor(s) and 5 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-Methyl-2,4,6,8,9-pentathiaadamantane?
The CAS number of 3-Methyl-2,4,6,8,9-pentathiaadamantane is 57274-63-2.
What is the molecular formula of 3-Methyl-2,4,6,8,9-pentathiaadamantane?
The molecular formula of 3-Methyl-2,4,6,8,9-pentathiaadamantane is C6H8S5.
What is the molecular weight of 3-Methyl-2,4,6,8,9-pentathiaadamantane?
The molecular weight of 3-Methyl-2,4,6,8,9-pentathiaadamantane is 239.92 g/mol.
Where can I buy 3-Methyl-2,4,6,8,9-pentathiaadamantane?
You can request a quote for 3-Methyl-2,4,6,8,9-pentathiaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,4,6,8,9-pentathiaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,4,6,8,9-pentathiaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.