3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol
TL;DR: 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol (CAS 57274-31-4) is a chemical compound with molecular formula C8H12S6 and molecular weight 299.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane-1-thiol
Also Known As: 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol, 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-thiol, 3,5,7-trimethyl-, 2,4,6,8,9-Pentathiatricyclo[3.3.1.13,7]decane-1-thiol, 3,5,7-trimethyl-
| Molecular Formula | C8H12S6 |
|---|---|
| Molecular Weight | 299.93 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.92633 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 57274-31-4 |
|---|---|
| SMILES | CC12CC3(SC(S1)(SC(S2)(S3)S)C)C |
| InChIKey | MZKIGKCNMQMTQX-UHFFFAOYSA-N |
Product Overview
3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol (CAS 57274-31-4), with molecular formula C8H12S6 and molecular weight 299.93 g/mol. IUPAC: 3,5,7-trimethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane-1-thiol.
Chemical Property Profile of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol
Property Insights of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol
The XLogP value of 4.8 indicates that 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol. Following Lipinski's Rule of Five, 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol has 1 hydrogen bond donor(s) and 6 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 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol?
The CAS number of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol is 57274-31-4.
What is the molecular formula of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol?
The molecular formula of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol is C8H12S6.
What is the molecular weight of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol?
The molecular weight of 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol is 299.93 g/mol.
Where can I buy 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol?
You can request a quote for 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3,5,7-Trimethyl-2,4,6,8,9-pentathiaadamantane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.