3-(4-氯苯基)二硫醇-1-鎓
TL;DR: 3-(4-氯苯基)二硫醇-1-鎓 (CAS 10468-42-5) is a chemical compound with molecular formula C9H6ClS2+ and molecular weight 212.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-氯苯基)二硫醇-1-鎓
3-(4-chlorophenyl)dithiol-1-ium
Also Known As: 3-(4-chlorophenyl)dithiol-1-ium, Sulfuric acid compound with 3-(4-chlorophenyl)-1lambda~4~,2-dithiole (1:1)
| Molecular Formula | C9H6ClS2+ |
|---|---|
| Molecular Weight | 212.96 g/mol |
| LogP | 4.4111 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.95995 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 10468-42-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=[S+]S2)Cl |
| InChIKey | UNIQYAOWNXHSET-UHFFFAOYSA-N |
Product Overview
3-(4-氯苯基)二硫醇-1-鎓 (CAS 10468-42-5), with molecular formula C9H6ClS2+ and molecular weight 212.96 g/mol. IUPAC: 3-(4-chlorophenyl)dithiol-1-ium.
Chemical Property Profile of 3-(4-氯苯基)二硫醇-1-鎓
Property Insights of 3-(4-氯苯基)二硫醇-1-鎓
The XLogP value of 4.4111 indicates that 3-(4-氯苯基)二硫醇-1-鎓 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 3-(4-氯苯基)二硫醇-1-鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-氯苯基)二硫醇-1-鎓 has 0 hydrogen bond donor(s) and 1 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 3-(4-氯苯基)二硫醇-1-鎓?
The CAS number of 3-(4-氯苯基)二硫醇-1-鎓 is 10468-42-5.
What is the molecular formula of 3-(4-氯苯基)二硫醇-1-鎓?
The molecular formula of 3-(4-氯苯基)二硫醇-1-鎓 is C9H6ClS2+.
What is the molecular weight of 3-(4-氯苯基)二硫醇-1-鎓?
The molecular weight of 3-(4-氯苯基)二硫醇-1-鎓 is 212.96 g/mol.
Where can I buy 3-(4-氯苯基)二硫醇-1-鎓?
You can request a quote for 3-(4-氯苯基)二硫醇-1-鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-氯苯基)二硫醇-1-鎓?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-氯苯基)二硫醇-1-鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.