Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate
TL;DR: Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate (CAS 139091-71-7) is a chemical compound with molecular formula C11H15NS2 and molecular weight 225.06459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,5,6,7-tetrahydro-1H-indole-2-carbodithioate
Also Known As: ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate, 4,5,6,7-tetrahydroindole-2-dithiocarboxylic acid ethyl ester, ethyl 4,5,6,7-tetrahydro-1H-indole-2-carbodithioate, ethylthio-4,5,6,7-tetrahydroindol-2-ylmethane-1-thione
Technical Specifications
| Molecular Formula | C11H15NS2 |
| Molecular Weight | 225.06459 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06459 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CCSC(=S)C1=CC2=C(N1)CCCC2 |
| InChIKey | SFADIBBMSZQORP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate
Property Insights of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate
The XLogP value of 3.6 indicates that Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate. Following Lipinski's Rule of Five, Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate?
The CAS number of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate is 139091-71-7.
What is the molecular formula of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate?
The molecular formula of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate is C11H15NS2.
What is the molecular weight of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate?
The molecular weight of Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate is 225.06459 g/mol.
Where can I buy Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate?
You can request a quote for Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4,5,6,7-tetrahydro-2-indoledithiocarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.