![Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate structure](/static/products/1691/16916-15-7.webp)
Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate
TL;DR: Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate (CAS 16916-15-7) is a chemical compound with molecular formula C14H10ClNO4S3 and molecular weight 386.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-chlorobenzenecarbothioyl)imino-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate, AO-159/37342019, dimethyl 2-(4-chlorobenzenecarbothioyl)imino-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C14H10ClNO4S3 |
|---|---|
| Molecular Weight | 386.95 g/mol |
| LogP | 3.3126 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.94604 |
| Heavy Atoms | 23 |
| Complexity | 786.7931 |
Chemical Identifiers
| CAS Number | 16916-15-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=NC(=S)C2=CC=C(C=C2)Cl)S1)C(=O)OC |
Product Overview
Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate (CAS 16916-15-7), with molecular formula C14H10ClNO4S3 and molecular weight 386.95 g/mol. IUPAC: dimethyl 2-(4-chlorobenzenecarbothioyl)imino-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate
Property Insights of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 3.3126 indicates that Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate?
The CAS number of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate is 16916-15-7.
What is the molecular formula of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate is C14H10ClNO4S3.
What is the molecular weight of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate is 386.95 g/mol.
Where can I buy Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(4-chlorobenzothioyl)imino]-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.