3-Ethyl-2-nitrothiophene
TL;DR: 3-Ethyl-2-nitrothiophene (CAS 75754-99-3) is a chemical compound with molecular formula C6H7NO2S and molecular weight 157.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-nitrothiophene
Also Known As: 3-ethyl-2-nitrothiophene, Thiophene, 3-ethyl-2-nitro-, AI-942/25034267
| Molecular Formula | C6H7NO2S |
|---|---|
| Molecular Weight | 157.02 g/mol |
| LogP | 2.2187 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.01974 |
| Heavy Atoms | 10 |
| Complexity | 243.65079 |
Chemical Identifiers
| CAS Number | 75754-99-3 |
|---|---|
| SMILES | CCC1=C(SC=C1)[N+](=O)[O-] |
Product Overview
3-Ethyl-2-nitrothiophene (CAS 75754-99-3), with molecular formula C6H7NO2S and molecular weight 157.02 g/mol. IUPAC: 3-ethyl-2-nitrothiophene.
Chemical Property Profile of 3-Ethyl-2-nitrothiophene
Property Insights of 3-Ethyl-2-nitrothiophene
The XLogP value of 2.2187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-nitrothiophene. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Ethyl-2-nitrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-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-Ethyl-2-nitrothiophene?
The CAS number of 3-Ethyl-2-nitrothiophene is 75754-99-3.
What is the molecular formula of 3-Ethyl-2-nitrothiophene?
The molecular formula of 3-Ethyl-2-nitrothiophene is C6H7NO2S.
What is the molecular weight of 3-Ethyl-2-nitrothiophene?
The molecular weight of 3-Ethyl-2-nitrothiophene is 157.02 g/mol.
Where can I buy 3-Ethyl-2-nitrothiophene?
You can request a quote for 3-Ethyl-2-nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.