1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
TL;DR: 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1001830-53-0) is a chemical compound with molecular formula C9H7N5OS3 and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea
Also Known As: 1-(5-((cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea, F2680-0876, 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea, 3-{5-[(cyanomethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1-(thiophen-2-yl)urea
| Molecular Formula | C9H7N5OS3 |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 2.85928 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.98126 |
| Heavy Atoms | 18 |
| Complexity | 559.02014 |
Chemical Identifiers
| CAS Number | 1001830-53-0 |
|---|---|
| SMILES | C1=CSC(=C1)NC(=O)NC2=NN=C(S2)SCC#N |
Product Overview
1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea (CAS 1001830-53-0), with molecular formula C9H7N5OS3 and molecular weight 296.98 g/mol. IUPAC: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylurea.
Chemical Property Profile of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
Property Insights of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea
The XLogP value of 2.85928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea. Following Lipinski's Rule of Five, 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea has 2 hydrogen bond donor(s) and 7 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-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The CAS number of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 1001830-53-0.
What is the molecular formula of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular formula of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is C9H7N5OS3.
What is the molecular weight of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
The molecular weight of 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea is 296.98 g/mol.
Where can I buy 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
You can request a quote for 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-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-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((Cyanomethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.