1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
TL;DR: 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- (CAS 54934-99-5) is a chemical compound with molecular formula C8H16S3 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-di(propan-2-yl)-1,2,4-trithiolane
Also Known As: 3,5-Diisopropyl-1,2,4-trithiolane, 3,5-di(propan-2-yl)-1,2,4-trithiolane, diisopropyl-3,5 trithiolanne, 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-, 1,2,4-Trithiolane,3,5-bis -
| Molecular Formula | C8H16S3 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04141 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 54934-99-5 |
|---|---|
| SMILES | CC(C)C1SC(SS1)C(C)C |
| InChIKey | QCTAPVCDZUSECS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- (CAS 54934-99-5), with molecular formula C8H16S3 and molecular weight 208.04 g/mol. IUPAC: 3,5-di(propan-2-yl)-1,2,4-trithiolane.
Chemical Property Profile of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
Property Insights of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-
The XLogP value of 4.3 indicates that 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-. Following Lipinski's Rule of Five, 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- 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 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-?
The CAS number of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- is 54934-99-5.
What is the molecular formula of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-?
The molecular formula of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- is C8H16S3.
What is the molecular weight of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-?
The molecular weight of 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- is 208.04 g/mol.
Where can I buy 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-?
You can request a quote for 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.