2-Furancarbodithioic acid, methyl ester
TL;DR: 2-Furancarbodithioic acid, methyl ester (CAS 35972-85-1) is a chemical compound with molecular formula C6H6OS2 and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl furan-2-carbodithioate
Also Known As: methyl furan-2-carbodithioate, 2-Furancarbodithioic acid, methyl ester, methyl-2-furancarbodithioate, Methyl 2-furancarbodithioate, 2-Furancarbodithioicacidmethylester
| Molecular Formula | C6H6OS2 |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.98601 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 35972-85-1 |
|---|---|
| SMILES | CSC(=S)C1=CC=CO1 |
| InChIKey | VVUHENBZWKSXCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Furancarbodithioic acid, methyl ester (CAS 35972-85-1), with molecular formula C6H6OS2 and molecular weight 157.99 g/mol. IUPAC: methyl furan-2-carbodithioate.
Chemical Property Profile of 2-Furancarbodithioic acid, methyl ester
Property Insights of 2-Furancarbodithioic acid, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furancarbodithioic acid, methyl ester. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furancarbodithioic acid, methyl ester. Following Lipinski's Rule of Five, 2-Furancarbodithioic acid, methyl 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 2-Furancarbodithioic acid, methyl ester?
The CAS number of 2-Furancarbodithioic acid, methyl ester is 35972-85-1.
What is the molecular formula of 2-Furancarbodithioic acid, methyl ester?
The molecular formula of 2-Furancarbodithioic acid, methyl ester is C6H6OS2.
What is the molecular weight of 2-Furancarbodithioic acid, methyl ester?
The molecular weight of 2-Furancarbodithioic acid, methyl ester is 157.99 g/mol.
Where can I buy 2-Furancarbodithioic acid, methyl ester?
You can request a quote for 2-Furancarbodithioic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furancarbodithioic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Furancarbodithioic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.