Benzenecarbodithioic acid, 4-methoxy-, ethyl ester
TL;DR: Benzenecarbodithioic acid, 4-methoxy-, ethyl ester (CAS 942-85-8) is a chemical compound with molecular formula C10H12OS2 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methoxybenzenecarbodithioate
Also Known As: p-Dithioanisic acid ethyl, ethyl 4-methoxybenzodithioate, p-Anisic acid, dithio-, ethyl ester, ethyl 4-methoxybenzene-1-carbodithioate, Ethyl 4-methoxybenzenecarbodithioate
| Molecular Formula | C10H12OS2 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.03296 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 942-85-8 |
|---|---|
| SMILES | CCSC(=S)C1=CC=C(C=C1)OC |
| InChIKey | KCZXCBZHGXIJNO-UHFFFAOYSA-N |
Product Overview
Benzenecarbodithioic acid, 4-methoxy-, ethyl ester (CAS 942-85-8), with molecular formula C10H12OS2 and molecular weight 212.03 g/mol. IUPAC: ethyl 4-methoxybenzenecarbodithioate.
Chemical Property Profile of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester
Property Insights of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester
The XLogP value of 3.5 indicates that Benzenecarbodithioic acid, 4-methoxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbodithioic acid, 4-methoxy-, ethyl ester. Following Lipinski's Rule of Five, Benzenecarbodithioic acid, 4-methoxy-, ethyl ester has 0 hydrogen bond donor(s) and 3 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 Benzenecarbodithioic acid, 4-methoxy-, ethyl ester?
The CAS number of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester is 942-85-8.
What is the molecular formula of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester?
The molecular formula of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester is C10H12OS2.
What is the molecular weight of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester?
The molecular weight of Benzenecarbodithioic acid, 4-methoxy-, ethyl ester is 212.03 g/mol.
Where can I buy Benzenecarbodithioic acid, 4-methoxy-, ethyl ester?
You can request a quote for Benzenecarbodithioic acid, 4-methoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbodithioic acid, 4-methoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbodithioic acid, 4-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.