2-硝基噻吩-4-甲腈
TL;DR: 2-硝基噻吩-4-甲腈 (CAS 42137-24-6) 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-硝基噻吩-4-甲腈
5-nitrothiophene-3-carbonitrile
Also Known As: 5-nitrothiophene-3-carbonitrile, 2-Nitrothiophene-4-carbonitrile, Maybridge1_003117, 2-Nitro-4-cyanothiophene, 4-Cyano-2-nitrothiophene
| Molecular Formula | C5H2N2O2S |
|---|---|
| Molecular Weight | 153.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.9837 |
| Heavy Atoms | 10 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 42137-24-6 |
|---|---|
| SMILES | C1=C(SC=C1C#N)[N+](=O)[O-] |
| InChIKey | NACMZLGGHMPMKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基噻吩-4-甲腈 (CAS 42137-24-6), with molecular formula C5H2N2O2S and molecular weight 153.98 g/mol. IUPAC: 5-nitrothiophene-3-carbonitrile.
Chemical Property Profile of 2-硝基噻吩-4-甲腈
Property Insights of 2-硝基噻吩-4-甲腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基噻吩-4-甲腈. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基噻吩-4-甲腈. Following Lipinski's Rule of Five, 2-硝基噻吩-4-甲腈 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-硝基噻吩-4-甲腈?
The CAS number of 2-硝基噻吩-4-甲腈 is 42137-24-6.
What is the molecular formula of 2-硝基噻吩-4-甲腈?
The molecular formula of 2-硝基噻吩-4-甲腈 is C5H2N2O2S.
What is the molecular weight of 2-硝基噻吩-4-甲腈?
The molecular weight of 2-硝基噻吩-4-甲腈 is 153.98 g/mol.
Where can I buy 2-硝基噻吩-4-甲腈?
You can request a quote for 2-硝基噻吩-4-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基噻吩-4-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基噻吩-4-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.