1,3-Dithiolane, 2-tert-butyl-
TL;DR: 1,3-Dithiolane, 2-tert-butyl- (CAS 37754-55-5) is a chemical compound with molecular formula C7H14S2 and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,3-dithiolane
Also Known As: 2-tert-Butyl-1,3-dithiolane, 1,3-DITHIOLANE, 2-tert-BUTYL-, 1,3-dithiolane, 2-(1,1-dimethylethyl)-, 5-19-01-00106 (Beilstein Handbook Reference), BRN 1421175
| Molecular Formula | C7H14S2 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0537 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 37754-55-5 |
|---|---|
| SMILES | CC(C)(C)C1SCCS1 |
| InChIKey | MAHMEFGWYVMBGW-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2-tert-butyl- (CAS 37754-55-5), with molecular formula C7H14S2 and molecular weight 162.05 g/mol. IUPAC: 2-tert-butyl-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-tert-butyl-
Property Insights of 1,3-Dithiolane, 2-tert-butyl-
The XLogP value of 3.2 indicates that 1,3-Dithiolane, 2-tert-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-tert-butyl- has 0 hydrogen bond donor(s) and 2 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-tert-butyl-?
The CAS number of 1,3-Dithiolane, 2-tert-butyl- is 37754-55-5.
What is the molecular formula of 1,3-Dithiolane, 2-tert-butyl-?
The molecular formula of 1,3-Dithiolane, 2-tert-butyl- is C7H14S2.
What is the molecular weight of 1,3-Dithiolane, 2-tert-butyl-?
The molecular weight of 1,3-Dithiolane, 2-tert-butyl- is 162.05 g/mol.
Where can I buy 1,3-Dithiolane, 2-tert-butyl-?
You can request a quote for 1,3-Dithiolane, 2-tert-butyl- 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-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.