2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-
TL;DR: 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- (CAS 42520-76-3) is a chemical compound with molecular formula C6H3ClN2OS and molecular weight 185.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile
Also Known As: 2-Thiopheneacetonitrile, 5-chloro-.alpha.-(hydroxyimino)-, 5-Chloro-alpha-(hydroxyimino)thiophen-2-acetonitrile, 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-, (2E)-2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile, (2Z)-2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile
| Molecular Formula | C6H3ClN2OS |
|---|---|
| Molecular Weight | 185.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.96545 |
| Heavy Atoms | 11 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 42520-76-3 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C(=NO)C#N |
| InChIKey | OYNBTUUDEASXIH-UHFFFAOYSA-N |
Product Overview
2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- (CAS 42520-76-3), with molecular formula C6H3ClN2OS and molecular weight 185.97 g/mol. IUPAC: 2-(5-chlorothiophen-2-yl)-2-hydroxyiminoacetonitrile.
Chemical Property Profile of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-
Property Insights of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-. Following Lipinski's Rule of Five, 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- 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-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-?
The CAS number of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- is 42520-76-3.
What is the molecular formula of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-?
The molecular formula of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- is C6H3ClN2OS.
What is the molecular weight of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-?
The molecular weight of 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- is 185.97 g/mol.
Where can I buy 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-?
You can request a quote for 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetonitrile, 5-chloro-alpha-(hydroxyimino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.