1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea
TL;DR: 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea (CAS 24814-29-7) is a chemical compound with molecular formula C8H14N4OS and molecular weight 214.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea
Also Known As: Tebuthiuron-N-desmethyl, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea, Urea, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N'-methyl-, N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-N'-methylurea, N-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-N'-methylurea
| Molecular Formula | C8H14N4OS |
|---|---|
| Molecular Weight | 214.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.08884 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 24814-29-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)NC(=O)NC |
| InChIKey | QNZVDHFCJIENKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea (CAS 24814-29-7), with molecular formula C8H14N4OS and molecular weight 214.09 g/mol. IUPAC: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea.
Chemical Property Profile of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea
Property Insights of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea. Following Lipinski's Rule of Five, 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea 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-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea?
The CAS number of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea is 24814-29-7.
What is the molecular formula of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea?
The molecular formula of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea is C8H14N4OS.
What is the molecular weight of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea?
The molecular weight of 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea is 214.09 g/mol.
Where can I buy 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea?
You can request a quote for 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.