Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
TL;DR: Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester (CAS 142979-68-8) is a chemical compound with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(4-methylphenyl)carbamodithioate
Also Known As: Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester, [3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(4-methylphenyl)carbamodithioate, 3-(4-Methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl (4-methylphenyl)carbamodithioate, CARBAMODITHIOICACID, (4-METHYLPHENYL)-, 3-(4-METHYLPHENYL)-4-OXO-2-THIOXO-5-THIAZOLIDINYLESTER (9CI), Carbamodithioicacid,(4-methylphenyl)-,3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester(9ci)
| Molecular Formula | C18H16N2OS4 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 5.12444 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.01456 |
| Heavy Atoms | 25 |
| Complexity | 817.9746 |
Chemical Identifiers
| CAS Number | 142979-68-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)SC2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C |
Product Overview
Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester (CAS 142979-68-8), with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol. IUPAC: [3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(4-methylphenyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
Property Insights of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
The XLogP value of 5.12444 indicates that Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The CAS number of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is 142979-68-8.
What is the molecular formula of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The molecular formula of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is C18H16N2OS4.
What is the molecular weight of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The molecular weight of Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is 404.01 g/mol.
Where can I buy Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
You can request a quote for Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.