1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
TL;DR: 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 898462-71-0) is a chemical compound with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: 1-(5-((2-oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea, AB00681044-01, 1-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea, F2680-1041, 3-{5-[(2-oxopropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-phenylurea
| Molecular Formula | C12H12N4O2S2 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.8632 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.04016 |
| Heavy Atoms | 20 |
| Complexity | 600.5146 |
Chemical Identifiers
| CAS Number | 898462-71-0 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(S1)NC(=O)NC2=CC=CC=C2 |
Product Overview
1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea (CAS 898462-71-0), with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol. IUPAC: 1-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea.
Chemical Property Profile of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
Property Insights of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea
The XLogP value of 2.8632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea has 2 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 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The CAS number of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 898462-71-0.
What is the molecular formula of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is C12H12N4O2S2.
What is the molecular weight of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea is 308.04 g/mol.
Where can I buy 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((2-Oxopropyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.