Tebuthiuron
TL;DR: Tebuthiuron (CAS 34014-18-1) is a chemical compound with molecular formula C9H16N4OS and molecular weight 228.10448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
Also Known As: tebuthiuron, Spike, Graslan, Perflan, Brulan
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16N4OS |
| Molecular Weight | 228.10448 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.10448 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| Melting Point | 161.5-164 °C |
| Vapor Pressure | 0.000002 [mmHg] |
| Solubility | Solubility in benzene 3.7, hexane 6.1, 2-methoxyethanol 60, acetonitrile 60, acetone 70, methanol 170, chloroform 250 (all in g/L, 25 °C) |
| SMILES | CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC |
| InChIKey | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
Product Description
Applications: Tebuthiuron is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Tebuthiuron (CAS 34014-18-1) is a agrochemical intermediate with the molecular formula C9H16N4OS and a molecular weight of 228.1 g/mol. Key physical properties include a solubility: Solubility in benzene 3.7, hexane 6.1, 2-methoxyethanol 60, acetonitrile 60, acetone 70, methanol 170, chloroform 250 (all in g/L, 25 °C). Synonyms include tebuthiuron and Spike.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tebuthiuron
Property Insights of Tebuthiuron
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tebuthiuron. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tebuthiuron. Following Lipinski's Rule of Five, Tebuthiuron has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tebuthiuron?
The CAS number of Tebuthiuron is 34014-18-1.
What is the molecular formula of Tebuthiuron?
The molecular formula of Tebuthiuron is C9H16N4OS.
What is the molecular weight of Tebuthiuron?
The molecular weight of Tebuthiuron is 228.10448 g/mol.
What are the applications of Tebuthiuron?
Tebuthiuron is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Tebuthiuron?
You can request a quote for Tebuthiuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tebuthiuron?
Yes, CoreyChem provides custom synthesis services for Tebuthiuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.