2-Cyanoethyl piperidine-1-carbodithioate
TL;DR: 2-Cyanoethyl piperidine-1-carbodithioate (CAS 33032-83-6) is a chemical compound with molecular formula C9H14N2S2 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl piperidine-1-carbodithioate
Also Known As: 2-cyanoethyl piperidine-1-carbodithioate, 3-[Piperidino(thiocarbonyl)thio]propanenitrile, J1.613.667K, 3-(Piperidine-1-carbothioylsulfanyl)propanenitrile, 1-Piperidinedithiocarboxylic acid 2-cyanoethyl ester
| Molecular Formula | C9H14N2S2 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.05984 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 33032-83-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCCC#N |
| InChIKey | SBRFMBYFZOHTOX-UHFFFAOYSA-N |
Product Overview
2-Cyanoethyl piperidine-1-carbodithioate (CAS 33032-83-6), with molecular formula C9H14N2S2 and molecular weight 214.06 g/mol. IUPAC: 2-cyanoethyl piperidine-1-carbodithioate.
Chemical Property Profile of 2-Cyanoethyl piperidine-1-carbodithioate
Property Insights of 2-Cyanoethyl piperidine-1-carbodithioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl piperidine-1-carbodithioate. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoethyl piperidine-1-carbodithioate. Following Lipinski's Rule of Five, 2-Cyanoethyl piperidine-1-carbodithioate 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-Cyanoethyl piperidine-1-carbodithioate?
The CAS number of 2-Cyanoethyl piperidine-1-carbodithioate is 33032-83-6.
What is the molecular formula of 2-Cyanoethyl piperidine-1-carbodithioate?
The molecular formula of 2-Cyanoethyl piperidine-1-carbodithioate is C9H14N2S2.
What is the molecular weight of 2-Cyanoethyl piperidine-1-carbodithioate?
The molecular weight of 2-Cyanoethyl piperidine-1-carbodithioate is 214.06 g/mol.
Where can I buy 2-Cyanoethyl piperidine-1-carbodithioate?
You can request a quote for 2-Cyanoethyl piperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.