1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea (CAS 80088-50-2) is a chemical compound with molecular formula C12H10N4OS2 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea, 1-phenyl-3-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)urea, 1-phenyl-3-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, F2680-0940
| Molecular Formula | C12H10N4OS2 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 2.9074 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.0296 |
| Heavy Atoms | 19 |
| Complexity | 591.2769 |
Chemical Identifiers
| CAS Number | 80088-50-2 |
|---|---|
| SMILES | C#CCSC1=NN=C(S1)NC(=O)NC2=CC=CC=C2 |
Product Overview
1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea (CAS 80088-50-2), with molecular formula C12H10N4OS2 and molecular weight 290.03 g/mol. IUPAC: 1-phenyl-3-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 2.9074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea has 2 hydrogen bond donor(s) and 5 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 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea is 80088-50-2.
What is the molecular formula of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea is C12H10N4OS2.
What is the molecular weight of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea is 290.03 g/mol.
Where can I buy 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.