2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile
TL;DR: 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile (CAS 338778-97-5) is a chemical compound with molecular formula C10H8N4OS and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]propanedinitrile
Also Known As: 2-[(2-amino-3,3-dicyano-2-propenyl)sulfanyl]-1-pyridiniumolate, 2-[(2-amino-3,3-dicyanoprop-2-en-1-yl)sulfanyl]pyridin-1-ium-1-olate, 2-[(2-Amino-3,3-dicyano-2-propenyl)sulfanyl]-1- pyridiniumolate, 2-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]propanedinitrile, 2-((2-amino-3,3-dicyano-2-propenyl)sulfanyl)-1-pyridiniumolate
| Molecular Formula | C10H8N4OS |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 0.67206 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.04189 |
| Heavy Atoms | 16 |
| Complexity | 482.27588 |
Chemical Identifiers
| CAS Number | 338778-97-5 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)SCC(=C(C#N)C#N)N)[O-] |
Product Overview
2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile (CAS 338778-97-5), with molecular formula C10H8N4OS and molecular weight 232.04 g/mol. IUPAC: 2-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]propanedinitrile.
Chemical Property Profile of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile
Property Insights of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile
The XLogP value of 0.67206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile has 1 hydrogen bond donor(s) and 5 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-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile?
The CAS number of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile is 338778-97-5.
What is the molecular formula of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile?
The molecular formula of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile is C10H8N4OS.
What is the molecular weight of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile?
The molecular weight of 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile is 232.04 g/mol.
Where can I buy 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile?
You can request a quote for 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Amino-2-((1-oxido-2-pyridinyl)thio)ethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.