5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394682-37-2) is a chemical compound with molecular formula C12H11N3OS2 and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: S-Methyl methanethiosulfonate, 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(2-furyl)-3-thien-2-yl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 9
| Molecular Formula | C12H11N3OS2 |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 2.7358 |
| Topological Polar Surface Area | 54.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.03436 |
| Heavy Atoms | 18 |
| Complexity | 574.5041 |
Chemical Identifiers
| CAS Number | 394682-37-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=S)N)C3=CC=CO3 |
Product Overview
5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394682-37-2), with molecular formula C12H11N3OS2 and molecular weight 277.03 g/mol. IUPAC: 3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 2.7358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide. With a topological polar surface area (TPSA) of 54.76 Ų, 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 394682-37-2.
What is the molecular formula of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is C12H11N3OS2.
What is the molecular weight of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 277.03 g/mol.
Where can I buy 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.