Benzenecarbodithioic acid, ethyl ester
TL;DR: Benzenecarbodithioic acid, ethyl ester (CAS 936-63-0) is a chemical compound with molecular formula C9H10S2 and molecular weight 182.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzenecarbodithioate
Also Known As: Ethyl dithiobenzoate, Ethyl benzenecarbodithioate, Benzenecarbodithioic acid, ethyl ester, Dithiobenzoesaeure-aethylester, Ethyl benzenecarbodithioate #
| Molecular Formula | C9H10S2 |
|---|---|
| Molecular Weight | 182.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0224 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 936-63-0 |
|---|---|
| SMILES | CCSC(=S)C1=CC=CC=C1 |
| InChIKey | IKQMQWBFIXCPID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbodithioic acid, ethyl ester (CAS 936-63-0), with molecular formula C9H10S2 and molecular weight 182.02 g/mol. IUPAC: ethyl benzenecarbodithioate.
Chemical Property Profile of Benzenecarbodithioic acid, ethyl ester
Property Insights of Benzenecarbodithioic acid, ethyl ester
The XLogP value of 3.3 indicates that Benzenecarbodithioic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Benzenecarbodithioic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbodithioic acid, ethyl ester has 0 hydrogen bond donor(s) and 2 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, ethyl ester?
The CAS number of Benzenecarbodithioic acid, ethyl ester is 936-63-0.
What is the molecular formula of Benzenecarbodithioic acid, ethyl ester?
The molecular formula of Benzenecarbodithioic acid, ethyl ester is C9H10S2.
What is the molecular weight of Benzenecarbodithioic acid, ethyl ester?
The molecular weight of Benzenecarbodithioic acid, ethyl ester is 182.02 g/mol.
Where can I buy Benzenecarbodithioic acid, ethyl ester?
You can request a quote for Benzenecarbodithioic acid, 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, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbodithioic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.