1,3-Dithiane, 2-(1-propenyl)-
TL;DR: 1,3-Dithiane, 2-(1-propenyl)- (CAS 61685-42-5) is a chemical compound with molecular formula C7H12S2 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-1-enyl-1,3-dithiane
Also Known As: 2-Butyl-3-methylcyclohexen, 2-prop-1-enyl-1,3-dithiane, 1,3-Dithiane, 2-(1-propenyl)-, 2-(PROP-1-EN-1-YL)-1,3-DITHIANE
| Molecular Formula | C7H12S2 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.03804 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 61685-42-5 |
|---|---|
| SMILES | CC=CC1SCCCS1 |
| InChIKey | ZQDTUUPIGIIESY-UHFFFAOYSA-N |
Product Overview
1,3-Dithiane, 2-(1-propenyl)- (CAS 61685-42-5), with molecular formula C7H12S2 and molecular weight 160.04 g/mol. IUPAC: 2-prop-1-enyl-1,3-dithiane.
Chemical Property Profile of 1,3-Dithiane, 2-(1-propenyl)-
Property Insights of 1,3-Dithiane, 2-(1-propenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiane, 2-(1-propenyl)-. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dithiane, 2-(1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiane, 2-(1-propenyl)- 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-Dithiane, 2-(1-propenyl)-?
The CAS number of 1,3-Dithiane, 2-(1-propenyl)- is 61685-42-5.
What is the molecular formula of 1,3-Dithiane, 2-(1-propenyl)-?
The molecular formula of 1,3-Dithiane, 2-(1-propenyl)- is C7H12S2.
What is the molecular weight of 1,3-Dithiane, 2-(1-propenyl)-?
The molecular weight of 1,3-Dithiane, 2-(1-propenyl)- is 160.04 g/mol.
Where can I buy 1,3-Dithiane, 2-(1-propenyl)-?
You can request a quote for 1,3-Dithiane, 2-(1-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiane, 2-(1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane, 2-(1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.