Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
TL;DR: Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester (CAS 142979-67-7) is a chemical compound with molecular formula C18H16N2OS4 and molecular weight 404.01456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(2-methylphenyl)carbamodithioate
Also Known As: Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester, Carbamodithioic acid,(2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester(9CI), [3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(2-methylphenyl)carbamodithioate, 3-(4-Methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl hydrogen (2-methylphenyl)carbonodithioimidate
Technical Specifications
| Molecular Formula | C18H16N2OS4 |
| Molecular Weight | 404.01456 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.01456 Da |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(SC2=S)SC(=S)NC3=CC=CC=C3C |
| InChIKey | AWAVTEWTRUJXDH-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
Property Insights of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
The XLogP value of 5.7 indicates that Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-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
What is the CAS number of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The CAS number of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is 142979-67-7.
What is the molecular formula of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The molecular formula of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is C18H16N2OS4.
What is the molecular weight of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
The molecular weight of Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester is 404.01456 g/mol.
Where can I buy Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
You can request a quote for Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, (2-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, (2-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.