2-(Trichloromethyl)-1,3-dithiane
TL;DR: 2-(Trichloromethyl)-1,3-dithiane (CAS 70063-60-4) is a chemical compound with molecular formula C5H7Cl3S2 and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)-1,3-dithiane
Also Known As: 2-(trichloromethyl)-1,3-dithiane
| Molecular Formula | C5H7Cl3S2 |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.90547 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 70063-60-4 |
|---|---|
| SMILES | C1CSC(SC1)C(Cl)(Cl)Cl |
| InChIKey | ANCVGMLLLYYAOR-UHFFFAOYSA-N |
Product Overview
2-(Trichloromethyl)-1,3-dithiane (CAS 70063-60-4), with molecular formula C5H7Cl3S2 and molecular weight 235.91 g/mol. IUPAC: 2-(trichloromethyl)-1,3-dithiane.
Chemical Property Profile of 2-(Trichloromethyl)-1,3-dithiane
Property Insights of 2-(Trichloromethyl)-1,3-dithiane
The XLogP value of 3.7 indicates that 2-(Trichloromethyl)-1,3-dithiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-(Trichloromethyl)-1,3-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethyl)-1,3-dithiane 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 2-(Trichloromethyl)-1,3-dithiane?
The CAS number of 2-(Trichloromethyl)-1,3-dithiane is 70063-60-4.
What is the molecular formula of 2-(Trichloromethyl)-1,3-dithiane?
The molecular formula of 2-(Trichloromethyl)-1,3-dithiane is C5H7Cl3S2.
What is the molecular weight of 2-(Trichloromethyl)-1,3-dithiane?
The molecular weight of 2-(Trichloromethyl)-1,3-dithiane is 235.91 g/mol.
Where can I buy 2-(Trichloromethyl)-1,3-dithiane?
You can request a quote for 2-(Trichloromethyl)-1,3-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloromethyl)-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethyl)-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.