3-Nitrothiophene
TL;DR: 3-Nitrothiophene (CAS 822-84-4) is a chemical compound with molecular formula C4H3NO2S and molecular weight 128.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrothiophene
Also Known As: 3-Nitrothiophene, Thiophene, 3-nitro-, 3-nitro-thiophene, Thiophene,3-nitro, 5-17-01-00313 (Beilstein Handbook Reference)
| Molecular Formula | C4H3NO2S |
|---|---|
| Molecular Weight | 128.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.98845 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 822-84-4 |
|---|---|
| SMILES | C1=CSC=C1[N+](=O)[O-] |
| InChIKey | SIPCFXFCVTUAID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrothiophene (CAS 822-84-4), with molecular formula C4H3NO2S and molecular weight 128.99 g/mol. IUPAC: 3-nitrothiophene.
Chemical Property Profile of 3-Nitrothiophene
Property Insights of 3-Nitrothiophene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrothiophene. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrothiophene. Following Lipinski's Rule of Five, 3-Nitrothiophene 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-Nitrothiophene?
The CAS number of 3-Nitrothiophene is 822-84-4.
What is the molecular formula of 3-Nitrothiophene?
The molecular formula of 3-Nitrothiophene is C4H3NO2S.
What is the molecular weight of 3-Nitrothiophene?
The molecular weight of 3-Nitrothiophene is 128.99 g/mol.
Where can I buy 3-Nitrothiophene?
You can request a quote for 3-Nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.