Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
TL;DR: Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (CAS 142979-65-5) is a chemical compound with molecular formula C17H14N2OS4 and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(2-methylphenyl)carbamodithioate
Also Known As: Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester, (4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(2-methylphenyl)carbamodithioate, 4-Oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl hydrogen (2-methylphenyl)carbonodithioimidate
| Molecular Formula | C17H14N2OS4 |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 4.81602 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.9989 |
| Heavy Atoms | 24 |
| Complexity | 794.1874 |
Chemical Identifiers
| CAS Number | 142979-65-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)SC2C(=O)N(C(=S)S2)C3=CC=CC=C3 |
Product Overview
Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (CAS 142979-65-5), with molecular formula C17H14N2OS4 and molecular weight 390.00 g/mol. IUPAC: (4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(2-methylphenyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
Property Insights of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
The XLogP value of 4.81602 indicates that Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-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, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester has 1 hydrogen bond donor(s) and 5 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 Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The CAS number of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is 142979-65-5.
What is the molecular formula of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The molecular formula of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is C17H14N2OS4.
What is the molecular weight of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
The molecular weight of Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester is 390.00 g/mol.
Where can I buy Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
You can request a quote for Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-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, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (2-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.