2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
TL;DR: 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (CAS 338779-35-4) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
Also Known As: 1-(3-Thienyl)methyleneimmonium-3-pyrazolidinone-1,2-inner salt, 1-(thiophen-3-ylmethylidene)-4,5-dihydropyrazol-3-olate, 2-(thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.257 |
| Topological Polar Surface Area | 38.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 326.83688 |
Chemical Identifiers
| CAS Number | 338779-35-4 |
|---|---|
| SMILES | C1C[N+](=CC2=CSC=C2)N=C1[O-] |
Product Overview
2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate (CAS 338779-35-4), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: 2-(thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate.
Chemical Property Profile of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
Property Insights of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate
The XLogP value of 0.257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate. With a topological polar surface area (TPSA) of 38.43 Ų, 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate 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-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The CAS number of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is 338779-35-4.
What is the molecular formula of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The molecular formula of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is C8H8N2OS.
What is the molecular weight of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
The molecular weight of 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate is 180.04 g/mol.
Where can I buy 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
You can request a quote for 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Thiophen-3-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.