2-Ethynyl-5-nitrothiophene
TL;DR: 2-Ethynyl-5-nitrothiophene (CAS 74610-87-0) is a chemical compound with molecular formula C6H3NO2S and molecular weight 152.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-5-nitrothiophene
Also Known As: 2-ethynyl-5-nitrothiophene, 2-Nitro-5-ethynylthiophene, 2-ethynyl-5-nitro-thiophene, Thiophene, 2-ethynyl-5-nitro-, J1.208.092A
| Molecular Formula | C6H3NO2S |
|---|---|
| Molecular Weight | 152.99 g/mol |
| LogP | 1.6376 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.98845 |
| Heavy Atoms | 10 |
| Complexity | 296.94162 |
Chemical Identifiers
| CAS Number | 74610-87-0 |
|---|---|
| SMILES | C#CC1=CC=C(S1)[N+](=O)[O-] |
Product Overview
2-Ethynyl-5-nitrothiophene (CAS 74610-87-0), with molecular formula C6H3NO2S and molecular weight 152.99 g/mol. IUPAC: 2-ethynyl-5-nitrothiophene.
Chemical Property Profile of 2-Ethynyl-5-nitrothiophene
Property Insights of 2-Ethynyl-5-nitrothiophene
The XLogP value of 1.6376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynyl-5-nitrothiophene. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Ethynyl-5-nitrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-5-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 2-Ethynyl-5-nitrothiophene?
The CAS number of 2-Ethynyl-5-nitrothiophene is 74610-87-0.
What is the molecular formula of 2-Ethynyl-5-nitrothiophene?
The molecular formula of 2-Ethynyl-5-nitrothiophene is C6H3NO2S.
What is the molecular weight of 2-Ethynyl-5-nitrothiophene?
The molecular weight of 2-Ethynyl-5-nitrothiophene is 152.99 g/mol.
Where can I buy 2-Ethynyl-5-nitrothiophene?
You can request a quote for 2-Ethynyl-5-nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynyl-5-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynyl-5-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.