1,3-Dithiolane, 2-methyl-2-(2-thienyl)-
TL;DR: 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- (CAS 85102-57-4) is a chemical compound with molecular formula C8H10S3 and molecular weight 201.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-thiophen-2-yl-1,3-dithiolane
Also Known As: 2-Methyl-2-(2-thienyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-METHYL-2-(2-THIENYL)-, 2-methyl-2-(thiophen-2-yl)-1,3-dithiolane, 2-methyl-2-thiophen-2-yl-1,3-dithiolane, 2-methyl-2-thiophen-2-yl[1,3]dithiolane
| Molecular Formula | C8H10S3 |
|---|---|
| Molecular Weight | 201.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.99446 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 85102-57-4 |
|---|---|
| SMILES | CC1(SCCS1)C2=CC=CS2 |
| InChIKey | XQWUOXJGSSBQTH-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2-methyl-2-(2-thienyl)- (CAS 85102-57-4), with molecular formula C8H10S3 and molecular weight 201.99 g/mol. IUPAC: 2-methyl-2-thiophen-2-yl-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-
Property Insights of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- 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 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-?
The CAS number of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- is 85102-57-4.
What is the molecular formula of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-?
The molecular formula of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- is C8H10S3.
What is the molecular weight of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-?
The molecular weight of 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- is 201.99 g/mol.
Where can I buy 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-?
You can request a quote for 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-methyl-2-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.