![[(3-Methylthiophen-2-yl)methylidene]propanedinitrile structure](/static/products/810/81020-76-0.png)
[(3-Methylthiophen-2-yl)methylidene]propanedinitrile
TL;DR: [(3-Methylthiophen-2-yl)methylidene]propanedinitrile (CAS 81020-76-0) is a chemical compound with molecular formula C9H6N2S and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylthiophen-2-yl)methylidene]propanedinitrile
Also Known As: [(3-methylthiophen-2-yl)methylidene]propanedinitrile|2-[(3-methyl-2-thienyl)methylene]malononitrile|Propanedinitrile, 2-[(3-methyl-2-thienyl)methylene]-|2-((3-Methylthiophen-2-yl)methylene)malononitrile|2-(3-methyl-thiophen-2-ylmethylene)-malononitrile|2-[(3-methylthiophen-2-yl)methylidene]propanedinitrile|SR-01000637074-1
| Molecular Formula | C9H6N2S |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02516 |
| Heavy Atoms | 12 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 81020-76-0 |
|---|---|
| SMILES | CC1=C(SC=C1)C=C(C#N)C#N |
| InChIKey | PFTKOFUCRGBFFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(3-Methylthiophen-2-yl)methylidene]propanedinitrile (CAS 81020-76-0), with molecular formula C9H6N2S and molecular weight 174.03 g/mol. IUPAC: 2-[(3-methylthiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile
Property Insights of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Methylthiophen-2-yl)methylidene]propanedinitrile. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Methylthiophen-2-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(3-Methylthiophen-2-yl)methylidene]propanedinitrile 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 [(3-Methylthiophen-2-yl)methylidene]propanedinitrile?
The CAS number of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile is 81020-76-0.
What is the molecular formula of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile?
The molecular formula of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile is C9H6N2S.
What is the molecular weight of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile?
The molecular weight of [(3-Methylthiophen-2-yl)methylidene]propanedinitrile is 174.03 g/mol.
Where can I buy [(3-Methylthiophen-2-yl)methylidene]propanedinitrile?
You can request a quote for [(3-Methylthiophen-2-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Methylthiophen-2-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(3-Methylthiophen-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.