Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester
TL;DR: Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester (CAS 51741-78-7) is a chemical compound with molecular formula C11H11NS3 and molecular weight 253.00536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanedithioate
Also Known As: Methyl 2-(3-methylbenzothiazolylidene)dithioacetate, Methyl 2-(3-methylbenzothiazolin-2-ylidene)dithioacetate, methyl 2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanedithioate, Ethane(dithioic) acid, (3-methyl-2(3H)-benzothiazolylidene)-, methyl ester, Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester
Technical Specifications
| Molecular Formula | C11H11NS3 |
| Molecular Weight | 253.00536 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.00536 Da |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| SMILES | CN1C2=CC=CC=C2SC1=CC(=S)SC |
| InChIKey | NUJLHAURLLYKRL-UHFFFAOYSA-N |
Chemical Property Profile of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester
Property Insights of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester
The XLogP value of 3.5 indicates that Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester. Following Lipinski's Rule of Five, Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester?
The CAS number of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester is 51741-78-7.
What is the molecular formula of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester?
The molecular formula of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester is C11H11NS3.
What is the molecular weight of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester?
The molecular weight of Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester is 253.00536 g/mol.
Where can I buy Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester?
You can request a quote for Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Ethane(dithioic) acid, 2-(3-methyl-2(3H)-benzothiazolylidene)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.