5-Anilino-4-chlorodithiol-3-one
TL;DR: 5-Anilino-4-chlorodithiol-3-one (CAS 3161-49-7) is a chemical compound with molecular formula C9H6ClNOS2 and molecular weight 242.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-4-chlorodithiol-3-one
Also Known As: 5-anilino-4-chlorodithiol-3-one, 3H-1, 4-chloro-5-(phenylamino)-, 5-Anilino-4-chloro-3H-1,2-dithiol-3-one
| Molecular Formula | C9H6ClNOS2 |
|---|---|
| Molecular Weight | 242.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.95793 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3161-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)SS2)Cl |
| InChIKey | MJSFRUICHOHLLS-UHFFFAOYSA-N |
Product Overview
5-Anilino-4-chlorodithiol-3-one (CAS 3161-49-7), with molecular formula C9H6ClNOS2 and molecular weight 242.96 g/mol. IUPAC: 5-anilino-4-chlorodithiol-3-one.
Chemical Property Profile of 5-Anilino-4-chlorodithiol-3-one
Property Insights of 5-Anilino-4-chlorodithiol-3-one
The XLogP value of 3.2 indicates that 5-Anilino-4-chlorodithiol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-4-chlorodithiol-3-one. Following Lipinski's Rule of Five, 5-Anilino-4-chlorodithiol-3-one has 1 hydrogen bond donor(s) and 4 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 5-Anilino-4-chlorodithiol-3-one?
The CAS number of 5-Anilino-4-chlorodithiol-3-one is 3161-49-7.
What is the molecular formula of 5-Anilino-4-chlorodithiol-3-one?
The molecular formula of 5-Anilino-4-chlorodithiol-3-one is C9H6ClNOS2.
What is the molecular weight of 5-Anilino-4-chlorodithiol-3-one?
The molecular weight of 5-Anilino-4-chlorodithiol-3-one is 242.96 g/mol.
Where can I buy 5-Anilino-4-chlorodithiol-3-one?
You can request a quote for 5-Anilino-4-chlorodithiol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Anilino-4-chlorodithiol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-4-chlorodithiol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.