4-氯苯-1,3-二硫醇
TL;DR: 4-氯苯-1,3-二硫醇 (CAS 58593-78-5) is a chemical compound with molecular formula C6H5ClS2 and molecular weight 175.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯-1,3-二硫醇
4-chlorobenzene-1,3-dithiol
Also Known As: 4-Chlorobenzene-1,3-dithiol, 4-Chloro-1,3-benzenedithiol, 4-chloro-m-benzenedithiol, 1,3-Benzenedithiol, 4-chloro-, 4-Chloro-meta-benzenedithiol
| Molecular Formula | C6H5ClS2 |
|---|---|
| Molecular Weight | 175.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.95212 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 58593-78-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S)S)Cl |
| InChIKey | HCDLDZCJYMCKQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯-1,3-二硫醇 (CAS 58593-78-5), with molecular formula C6H5ClS2 and molecular weight 175.95 g/mol. IUPAC: 4-chlorobenzene-1,3-dithiol.
Chemical Property Profile of 4-氯苯-1,3-二硫醇
Property Insights of 4-氯苯-1,3-二硫醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯-1,3-二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 4-氯苯-1,3-二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯-1,3-二硫醇 has 2 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 4-氯苯-1,3-二硫醇?
The CAS number of 4-氯苯-1,3-二硫醇 is 58593-78-5.
What is the molecular formula of 4-氯苯-1,3-二硫醇?
The molecular formula of 4-氯苯-1,3-二硫醇 is C6H5ClS2.
What is the molecular weight of 4-氯苯-1,3-二硫醇?
The molecular weight of 4-氯苯-1,3-二硫醇 is 175.95 g/mol.
Where can I buy 4-氯苯-1,3-二硫醇?
You can request a quote for 4-氯苯-1,3-二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯-1,3-二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯-1,3-二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.