4,5-Dichloro-1,2-dithiol-3-one
TL;DR: 4,5-Dichloro-1,2-dithiol-3-one (CAS 1192-52-5) is a chemical compound with molecular formula C3Cl2OS2 and molecular weight 185.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichlorodithiol-3-one
Also Known As: 4,5-Dichloro-3H-1,2-dithiol-3-one, Dichloro-1,2-dithiacyclopentenone, 4,5-dichlorodithiol-3-one, Dichlorodithiolone, 1, dichloro-
| Molecular Formula | C3Cl2OS2 |
|---|---|
| Molecular Weight | 185.88 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.87677 |
| Heavy Atoms | 8 |
| Complexity | 165.0 |
| Melting Point | 61 °C |
Chemical Identifiers
| CAS Number | 1192-52-5 |
|---|---|
| SMILES | C1(=C(SSC1=O)Cl)Cl |
| InChIKey | QGSRKGWCQSATCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-1,2-dithiol-3-one (CAS 1192-52-5), with molecular formula C3Cl2OS2 and molecular weight 185.88 g/mol. IUPAC: 4,5-dichlorodithiol-3-one.
Chemical Property Profile of 4,5-Dichloro-1,2-dithiol-3-one
Property Insights of 4,5-Dichloro-1,2-dithiol-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-1,2-dithiol-3-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dichloro-1,2-dithiol-3-one. Following Lipinski's Rule of Five, 4,5-Dichloro-1,2-dithiol-3-one has 0 hydrogen bond donor(s) and 3 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 4,5-Dichloro-1,2-dithiol-3-one?
The CAS number of 4,5-Dichloro-1,2-dithiol-3-one is 1192-52-5.
What is the molecular formula of 4,5-Dichloro-1,2-dithiol-3-one?
The molecular formula of 4,5-Dichloro-1,2-dithiol-3-one is C3Cl2OS2.
What is the molecular weight of 4,5-Dichloro-1,2-dithiol-3-one?
The molecular weight of 4,5-Dichloro-1,2-dithiol-3-one is 185.88 g/mol.
Where can I buy 4,5-Dichloro-1,2-dithiol-3-one?
You can request a quote for 4,5-Dichloro-1,2-dithiol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-1,2-dithiol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-1,2-dithiol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.