Thifensulfuron methyl
TL;DR: Thifensulfuron methyl (CAS 79277-27-3) is a chemical compound with molecular formula C12H13N5O6S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Also Known As: Thifensulfuron-methyl, Harmony, Thifensulfuron methyl, Pinnacle, Thiameturon-methyl
| Molecular Formula | C12H13N5O6S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.03073 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
| Melting Point | 186 °C |
| Density | 1.580 g/cu cm |
| Solubility | In water, 2.24X10+3 mg/L at 25 °C |
| Vapor Pressure | 1.28X10-10 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 79277-27-3 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC |
| InChIKey | AHTPATJNIAFOLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thifensulfuron methyl (CAS 79277-27-3), with molecular formula C12H13N5O6S2 and molecular weight 387.03 g/mol. IUPAC: methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate.
Chemical Property Profile of Thifensulfuron methyl
Property Insights of Thifensulfuron methyl
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thifensulfuron methyl. The TPSA of 186.0 Ų indicates high polarity, suggesting Thifensulfuron methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thifensulfuron methyl has 2 hydrogen bond donor(s) and 10 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 Thifensulfuron methyl?
The CAS number of Thifensulfuron methyl is 79277-27-3.
What is the molecular formula of Thifensulfuron methyl?
The molecular formula of Thifensulfuron methyl is C12H13N5O6S2.
What is the molecular weight of Thifensulfuron methyl?
The molecular weight of Thifensulfuron methyl is 387.03 g/mol.
Where can I buy Thifensulfuron methyl?
You can request a quote for Thifensulfuron methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thifensulfuron methyl?
Yes, KEHONG BIO provides custom synthesis services for Thifensulfuron methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.