1,3-Dithiolane, 2-methyl-2-propyl-
TL;DR: 1,3-Dithiolane, 2-methyl-2-propyl- (CAS 57230-59-8) 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-methyl-2-propyl-1,3-dithiolane
Also Known As: 2-Methyl-2-propyl-1,3-dithiolane, 1,3-DITHIOLANE, 2-METHYL-2-PROPYL-, BRN 5490824, RefChem:219193
| Molecular Formula | C7H14S2 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.0537 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 57230-59-8 |
|---|---|
| SMILES | CCCC1(SCCS1)C |
| InChIKey | JQUCKLQXVFVCTH-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane, 2-methyl-2-propyl- (CAS 57230-59-8), with molecular formula C7H14S2 and molecular weight 162.05 g/mol. IUPAC: 2-methyl-2-propyl-1,3-dithiolane.
Chemical Property Profile of 1,3-Dithiolane, 2-methyl-2-propyl-
Property Insights of 1,3-Dithiolane, 2-methyl-2-propyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolane, 2-methyl-2-propyl-. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiolane, 2-methyl-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiolane, 2-methyl-2-propyl- 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-methyl-2-propyl-?
The CAS number of 1,3-Dithiolane, 2-methyl-2-propyl- is 57230-59-8.
What is the molecular formula of 1,3-Dithiolane, 2-methyl-2-propyl-?
The molecular formula of 1,3-Dithiolane, 2-methyl-2-propyl- is C7H14S2.
What is the molecular weight of 1,3-Dithiolane, 2-methyl-2-propyl-?
The molecular weight of 1,3-Dithiolane, 2-methyl-2-propyl- is 162.05 g/mol.
Where can I buy 1,3-Dithiolane, 2-methyl-2-propyl-?
You can request a quote for 1,3-Dithiolane, 2-methyl-2-propyl- 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-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane, 2-methyl-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.