1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea
TL;DR: 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea (CAS 898461-80-8) is a chemical compound with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea, 1-cyclohexyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea, 1-cyclohexyl-3-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, F2680-0474
| Molecular Formula | C12H18N4OS2 |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 3.2704 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0922 |
| Heavy Atoms | 19 |
| Complexity | 429.1188 |
Chemical Identifiers
| CAS Number | 898461-80-8 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)NC(=O)NC2CCCCC2 |
Product Overview
1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea (CAS 898461-80-8), with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol. IUPAC: 1-cyclohexyl-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea
Property Insights of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea
The XLogP value of 3.2704 indicates that 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea. Following Lipinski's Rule of Five, 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea 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-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea?
The CAS number of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea is 898461-80-8.
What is the molecular formula of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea?
The molecular formula of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea is C12H18N4OS2.
What is the molecular weight of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea?
The molecular weight of 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea is 298.09 g/mol.
Where can I buy 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea?
You can request a quote for 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Allylthio)-1,3,4-thiadiazol-2-yl)-3-cyclohexylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.