2-(2-Nitro-1-propen-1-yl)thiophene
TL;DR: 2-(2-Nitro-1-propen-1-yl)thiophene (CAS 37629-59-7) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroprop-1-enyl)thiophene
Also Known As: 2-Butyl-1-decene, 2-(2-nitroprop-1-enyl)thiophene, 2-(2-nitroprop-1-en-1-yl)thiophene, 2-(2-nitro-propenyl)-thiophene, 2-(2-Nitro-1-propen-1-yl)thiophene
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 37629-59-7 |
|---|---|
| SMILES | CC(=CC1=CC=CS1)[N+](=O)[O-] |
| InChIKey | HMPLFCAOIJOKGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitro-1-propen-1-yl)thiophene (CAS 37629-59-7), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 2-(2-nitroprop-1-enyl)thiophene.
Chemical Property Profile of 2-(2-Nitro-1-propen-1-yl)thiophene
Property Insights of 2-(2-Nitro-1-propen-1-yl)thiophene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitro-1-propen-1-yl)thiophene. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitro-1-propen-1-yl)thiophene. Following Lipinski's Rule of Five, 2-(2-Nitro-1-propen-1-yl)thiophene 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 2-(2-Nitro-1-propen-1-yl)thiophene?
The CAS number of 2-(2-Nitro-1-propen-1-yl)thiophene is 37629-59-7.
What is the molecular formula of 2-(2-Nitro-1-propen-1-yl)thiophene?
The molecular formula of 2-(2-Nitro-1-propen-1-yl)thiophene is C7H7NO2S.
What is the molecular weight of 2-(2-Nitro-1-propen-1-yl)thiophene?
The molecular weight of 2-(2-Nitro-1-propen-1-yl)thiophene is 169.02 g/mol.
Where can I buy 2-(2-Nitro-1-propen-1-yl)thiophene?
You can request a quote for 2-(2-Nitro-1-propen-1-yl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitro-1-propen-1-yl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitro-1-propen-1-yl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.