![2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile structure](/static/products/846/84653-70-3.png)
2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile
TL;DR: 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile (CAS 84653-70-3) is a chemical compound with molecular formula C8H3N3O2S and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile, WXXTURWZZJSFKU-UHFFFAOYSA, WXXTURWZZJSFKU-UHFFFAOYSA-, BAS 00632205, [(5-nitro-2-thienyl)methylene]malononitrile
| Molecular Formula | C8H3N3O2S |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.9946 |
| Heavy Atoms | 14 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 84653-70-3 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C=C(C#N)C#N |
| InChIKey | WXXTURWZZJSFKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile (CAS 84653-70-3), with molecular formula C8H3N3O2S and molecular weight 204.99 g/mol. IUPAC: 2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile
Property Insights of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile has 0 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-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile?
The CAS number of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile is 84653-70-3.
What is the molecular formula of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile is C8H3N3O2S.
What is the molecular weight of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile is 204.99 g/mol.
Where can I buy 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(5-Nitrothiophen-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 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Nitrothiophen-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.