Thifensulfuron
TL;DR: Thifensulfuron (CAS 79277-67-1) is a chemical compound with molecular formula C11H11N5O6S2 and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
Also Known As: Thifensulfuron, thiameturon, thifensulfuron acid, Thifensulfuron [ISO], Thifensulfuron-methyl
| Molecular Formula | C11H11N5O6S2 |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.01508 |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 79277-67-1 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O |
| InChIKey | LOQQVLXUKHKNIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thifensulfuron (CAS 79277-67-1), with molecular formula C11H11N5O6S2 and molecular weight 373.02 g/mol. IUPAC: 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid.
Chemical Property Profile of Thifensulfuron
Property Insights of Thifensulfuron
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thifensulfuron. The TPSA of 197.0 Ų indicates high polarity, suggesting Thifensulfuron may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thifensulfuron has 3 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?
The CAS number of Thifensulfuron is 79277-67-1.
What is the molecular formula of Thifensulfuron?
The molecular formula of Thifensulfuron is C11H11N5O6S2.
What is the molecular weight of Thifensulfuron?
The molecular weight of Thifensulfuron is 373.02 g/mol.
Where can I buy Thifensulfuron?
You can request a quote for Thifensulfuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thifensulfuron?
Yes, KEHONG BIO provides custom synthesis services for Thifensulfuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.