1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
TL;DR: 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea (CAS 497940-70-2) is a chemical compound with molecular formula C12H14N4OS2 and molecular weight 294.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea, 1-phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea, 1-phenyl-3-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, 1-phenyl-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]urea, 1-phenyl-3-[(2Z)-5-(propylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C12H14N4OS2 |
|---|---|
| Molecular Weight | 294.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.0609 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 497940-70-2 |
|---|---|
| SMILES | CCCSC1=NN=C(S1)NC(=O)NC2=CC=CC=C2 |
| InChIKey | PWTNCEOQVFAWLB-UHFFFAOYSA-N |
Product Overview
1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea (CAS 497940-70-2), with molecular formula C12H14N4OS2 and molecular weight 294.06 g/mol. IUPAC: 1-phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Property Insights of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
The XLogP value of 3.0 indicates that 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-Phenyl-3-(5-propylsulfanyl-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-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea?
The CAS number of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea is 497940-70-2.
What is the molecular formula of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea?
The molecular formula of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea is C12H14N4OS2.
What is the molecular weight of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea?
The molecular weight of 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea is 294.06 g/mol.
Where can I buy 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea?
You can request a quote for 1-Phenyl-3-(5-propylsulfanyl-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-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.