2-Cyanoethyl 2-iminocyclopentanecarbodithioate
TL;DR: 2-Cyanoethyl 2-iminocyclopentanecarbodithioate (CAS 63018-11-1) is a chemical compound with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 2-iminocyclopentane-1-carbodithioate
Also Known As: 2-cyanoethyl 2-iminocyclopentanecarbodithioate, 2-cyanoethyl 2-iminocyclopentane-1-carbodithioate, NCI60_002561, Cyclopentanecarbodithioic acid, 2-cyanoethyl ester, Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl ester
| Molecular Formula | C9H12N2S2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.04419 |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 63018-11-1 |
|---|---|
| SMILES | C1CC(C(=N)C1)C(=S)SCCC#N |
| InChIKey | BXYQFEVQIURBAI-UHFFFAOYSA-N |
Product Overview
2-Cyanoethyl 2-iminocyclopentanecarbodithioate (CAS 63018-11-1), with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol. IUPAC: 2-cyanoethyl 2-iminocyclopentane-1-carbodithioate.
Chemical Property Profile of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate
Property Insights of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl 2-iminocyclopentanecarbodithioate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoethyl 2-iminocyclopentanecarbodithioate. Following Lipinski's Rule of Five, 2-Cyanoethyl 2-iminocyclopentanecarbodithioate has 1 hydrogen bond donor(s) and 4 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-Cyanoethyl 2-iminocyclopentanecarbodithioate?
The CAS number of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate is 63018-11-1.
What is the molecular formula of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate?
The molecular formula of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate is C9H12N2S2.
What is the molecular weight of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate?
The molecular weight of 2-Cyanoethyl 2-iminocyclopentanecarbodithioate is 212.04 g/mol.
Where can I buy 2-Cyanoethyl 2-iminocyclopentanecarbodithioate?
You can request a quote for 2-Cyanoethyl 2-iminocyclopentanecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl 2-iminocyclopentanecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl 2-iminocyclopentanecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.