1,3-Dithiane, 2-pentylidene-
TL;DR: 1,3-Dithiane, 2-pentylidene- (CAS 54561-45-4) is a chemical compound with molecular formula C9H16S2 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentylidene-1,3-dithiane
Also Known As: 2-pentylidene-1,3-dithiane, 1,3-Dithiane, 2-pentylidene-, 1,3-Dithiane,2-pentylidene, J1.848.313K, RefChem:219136
| Molecular Formula | C9H16S2 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 3.8881 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.06934 |
| Heavy Atoms | 11 |
| Complexity | 121.52442 |
Chemical Identifiers
| CAS Number | 54561-45-4 |
|---|---|
| SMILES | CCCCC=C1SCCCS1 |
Product Overview
1,3-Dithiane, 2-pentylidene- (CAS 54561-45-4), with molecular formula C9H16S2 and molecular weight 188.07 g/mol. IUPAC: 2-pentylidene-1,3-dithiane.
Chemical Property Profile of 1,3-Dithiane, 2-pentylidene-
Property Insights of 1,3-Dithiane, 2-pentylidene-
The XLogP value of 3.8881 indicates that 1,3-Dithiane, 2-pentylidene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dithiane, 2-pentylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiane, 2-pentylidene- 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-pentylidene-?
The CAS number of 1,3-Dithiane, 2-pentylidene- is 54561-45-4.
What is the molecular formula of 1,3-Dithiane, 2-pentylidene-?
The molecular formula of 1,3-Dithiane, 2-pentylidene- is C9H16S2.
What is the molecular weight of 1,3-Dithiane, 2-pentylidene-?
The molecular weight of 1,3-Dithiane, 2-pentylidene- is 188.07 g/mol.
Where can I buy 1,3-Dithiane, 2-pentylidene-?
You can request a quote for 1,3-Dithiane, 2-pentylidene- 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-pentylidene-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane, 2-pentylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.