3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one
TL;DR: 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 846597-87-3) is a chemical compound with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one
Also Known As: 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one, 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one, 5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C13H12N4OS2 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 2.73152 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.04526 |
| Heavy Atoms | 20 |
| Complexity | 653.4006 |
Chemical Identifiers
| CAS Number | 846597-87-3 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=NN(C(=O)C2)C3=CC=CC=C3 |
Product Overview
3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 846597-87-3), with molecular formula C13H12N4OS2 and molecular weight 304.05 g/mol. IUPAC: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one
Property Insights of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one
The XLogP value of 2.73152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one. With a topological polar surface area (TPSA) of 58.45 Ų, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one has 0 hydrogen bond donor(s) and 6 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-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one?
The CAS number of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one is 846597-87-3.
What is the molecular formula of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular formula of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one is C13H12N4OS2.
What is the molecular weight of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular weight of 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one is 304.05 g/mol.
Where can I buy 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one?
You can request a quote for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.