![1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea structure](/static/products/535/53532-45-9.png)
1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
TL;DR: 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 53532-45-9) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(4-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea, 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.79894 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 520.52264 |
Chemical Identifiers
| CAS Number | 53532-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)C |
Product Overview
1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 53532-45-9), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 1-(4-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
Property Insights of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea
The XLogP value of 2.79894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea has 2 hydrogen bond donor(s) and 4 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-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The CAS number of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea is 53532-45-9.
What is the molecular formula of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular formula of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea is C11H12N4OS.
What is the molecular weight of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular weight of 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea is 248.07 g/mol.
Where can I buy 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea?
You can request a quote for 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-3-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.