丁噻隆
TL;DR: 丁噻隆 (CAS 34014-18-1) is a chemical compound with molecular formula C9H16N4OS and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁噻隆
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
Also Known As: tebuthiuron, Spike, Graslan, Perflan, Brulan
| Molecular Formula | C9H16N4OS |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.10448 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| Melting Point | 161.5-164 °C |
| 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) |
| Vapor Pressure | 0.000002 [mmHg] |
Chemical Identifiers
| CAS Number | 34014-18-1 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC |
| InChIKey | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁噻隆 (CAS 34014-18-1), with molecular formula C9H16N4OS and molecular weight 228.10 g/mol. IUPAC: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea.
Chemical Property Profile of 丁噻隆
Property Insights of 丁噻隆
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁噻隆. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁噻隆. Following Lipinski's Rule of Five, 丁噻隆 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
Frequently Asked Questions
What is the CAS number of 丁噻隆?
The CAS number of 丁噻隆 is 34014-18-1.
What is the molecular formula of 丁噻隆?
The molecular formula of 丁噻隆 is C9H16N4OS.
What is the molecular weight of 丁噻隆?
The molecular weight of 丁噻隆 is 228.10 g/mol.
Where can I buy 丁噻隆?
You can request a quote for 丁噻隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁噻隆?
Yes, KEHONG BIO provides custom synthesis services for 丁噻隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.