![5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester structure](/static/products/500/500105-96-4.png)
5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
TL;DR: 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester (CAS 500105-96-4) is a chemical compound with molecular formula C20H24N2O2S3 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate
Also Known As: 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester, ethyl 5,5-dimethyl-2-(3-(m-tolyl)thioureido)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate, ethyl 5,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate, ethyl 5,5-dimethyl-2-{[(3-methylphenyl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
| Molecular Formula | C20H24N2O2S3 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 5.61002 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.1 |
| Heavy Atoms | 27 |
| Complexity | 874.10693 |
Chemical Identifiers
| CAS Number | 500105-96-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(SC2)(C)C)NC(=S)NC3=CC=CC(=C3)C |
Product Overview
5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester (CAS 500105-96-4), with molecular formula C20H24N2O2S3 and molecular weight 420.10 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[(3-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]thiopyran-3-carboxylate.
Chemical Property Profile of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
Property Insights of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester
The XLogP value of 5.61002 indicates that 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester?
The CAS number of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester is 500105-96-4.
What is the molecular formula of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester?
The molecular formula of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester is C20H24N2O2S3.
What is the molecular weight of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester?
The molecular weight of 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester is 420.10 g/mol.
Where can I buy 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester?
You can request a quote for 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic 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 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-(3-m-tolyl-thioureido)-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.