Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
TL;DR: Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (CAS 142979-66-6) is a chemical compound with molecular formula C17H14N2OS4 and molecular weight 389.9989 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(4-methylphenyl)carbamodithioate
Also Known As: Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester, Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI), (4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(4-methylphenyl)carbamodithioate, 4-Oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl (4-methylphenyl)carbamodithioate
Technical Specifications
| Molecular Formula | C17H14N2OS4 |
| Molecular Weight | 389.9989 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.9989 Da |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)SC2C(=O)N(C(=S)S2)C3=CC=CC=C3 |
| InChIKey | CATDXHPAOIVIJF-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
Property Insights of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
The XLogP value of 5.3 indicates that Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-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, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-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, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The CAS number of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is 142979-66-6.
What is the molecular formula of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The molecular formula of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is C17H14N2OS4.
What is the molecular weight of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The molecular weight of Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is 389.9989 g/mol.
Where can I buy Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
You can request a quote for Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-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, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.