Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester
TL;DR: Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester (CAS 3353-33-1) is a chemical compound with molecular formula C9H10ClNS3 and molecular weight 262.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)sulfanyl N,N-dimethylcarbamodithioate
Also Known As: 1-chloro-4-[(dimethylcarbamothioyl)disulfanyl]benzene, Dimethylcarbamo(dithioperoxo)thioic acid 4-chlorophenyl ester, Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester, (4-chlorophenyl)sulfanyl N,N-dimethylcarbamodithioate, Carbamo(dithioperoxo)thioicacid, dimethyl-, 4-chlorophenyl ester (9CI)
| Molecular Formula | C9H10ClNS3 |
|---|---|
| Molecular Weight | 262.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.9664 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3353-33-1 |
|---|---|
| SMILES | CN(C)C(=S)SSC1=CC=C(C=C1)Cl |
| InChIKey | SPYWZNLDUIWAPO-UHFFFAOYSA-N |
Product Overview
Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester (CAS 3353-33-1), with molecular formula C9H10ClNS3 and molecular weight 262.97 g/mol. IUPAC: (4-chlorophenyl)sulfanyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester
Property Insights of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester
The XLogP value of 3.5 indicates that Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester. Following Lipinski's Rule of Five, Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester 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 Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester?
The CAS number of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester is 3353-33-1.
What is the molecular formula of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester?
The molecular formula of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester is C9H10ClNS3.
What is the molecular weight of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester?
The molecular weight of Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester is 262.97 g/mol.
Where can I buy Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester?
You can request a quote for Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamo(dithioperoxo)thioic acid, dimethyl-, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.