2-Nitrothiophene-3-carbonitrile
TL;DR: 2-Nitrothiophene-3-carbonitrile (CAS 85598-50-1) is a chemical compound with molecular formula C5H2N2O2S and molecular weight 153.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrothiophene-3-carbonitrile
Also Known As: 2-nitrothiophene-3-carbonitrile, 2-Nitro-3-cyanothiophen, 2-nitro-3-thiophenecarbonitrile, 3-Thiophenecarbonitrile, 2-nitro-, AI-942/25121021
| Molecular Formula | C5H2N2O2S |
|---|---|
| Molecular Weight | 153.98 g/mol |
| LogP | 1.52798 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.9837 |
| Heavy Atoms | 10 |
| Complexity | 298.84174 |
Chemical Identifiers
| CAS Number | 85598-50-1 |
|---|---|
| SMILES | C1=CSC(=C1C#N)[N+](=O)[O-] |
Product Overview
2-Nitrothiophene-3-carbonitrile (CAS 85598-50-1), with molecular formula C5H2N2O2S and molecular weight 153.98 g/mol. IUPAC: 2-nitrothiophene-3-carbonitrile.
Chemical Property Profile of 2-Nitrothiophene-3-carbonitrile
Property Insights of 2-Nitrothiophene-3-carbonitrile
The XLogP value of 1.52798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrothiophene-3-carbonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrothiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Nitrothiophene-3-carbonitrile has 0 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-Nitrothiophene-3-carbonitrile?
The CAS number of 2-Nitrothiophene-3-carbonitrile is 85598-50-1.
What is the molecular formula of 2-Nitrothiophene-3-carbonitrile?
The molecular formula of 2-Nitrothiophene-3-carbonitrile is C5H2N2O2S.
What is the molecular weight of 2-Nitrothiophene-3-carbonitrile?
The molecular weight of 2-Nitrothiophene-3-carbonitrile is 153.98 g/mol.
Where can I buy 2-Nitrothiophene-3-carbonitrile?
You can request a quote for 2-Nitrothiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrothiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrothiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.