Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-
TL;DR: Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- (CAS 115997-22-3) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]ethanethioamide
Also Known As: 2-Cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)ethanethioamide, Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-, (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]ethanethioamide, RefChem:1084378, BRN 4425200
| Molecular Formula | C9H10N4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 0.66956 |
| Topological Polar Surface Area | 76.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06262 |
| Heavy Atoms | 14 |
| Complexity | 357.9887 |
Chemical Identifiers
| CAS Number | 115997-22-3 |
|---|---|
| SMILES | C1C/C(=C(/C#N)\C(=S)N)/N(C1)CC#N |
Product Overview
Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- (CAS 115997-22-3), with molecular formula C9H10N4S and molecular weight 206.06 g/mol. IUPAC: (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]ethanethioamide.
Chemical Property Profile of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-
Property Insights of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-
The XLogP value of 0.66956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-. The TPSA of 76.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-. Following Lipinski's Rule of Five, Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- 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 Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-?
The CAS number of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- is 115997-22-3.
What is the molecular formula of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-?
The molecular formula of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- is C9H10N4S.
What is the molecular weight of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-?
The molecular weight of Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- is 206.06 g/mol.
Where can I buy Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-?
You can request a quote for Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.