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Thifensulfuron

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Name

Thifensulfuron

EINECS N/A
CAS No. 79277-67-1 Density 1.674 g/cm3
PSA 197.09000 LogP 2.00340
Solubility N/A Melting Point N/A
Formula C11H11N5O6S2 Boiling Point N/A
Molecular Weight 373.37 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 79277-67-1 (Thifensulfuron) Hazard Symbols N/A
Synonyms

UNII-R1O5RY2GKC;

Article Data 6

Thifensulfuron Specification

The IUPAC name of 2-Thiophenecarboxylicacid,3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]- is 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid. With the CAS registry number 79277-67-1, it is also named as Thifensulfuron. The formula is C11H11N5O6S2 and molecular weight is 373.36.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 81.13 cm3; (14)Molar Volume: 222.9 cm3; (15)Polarizability: 32.16×10-24 cm3; (16)Surface Tension: 90.5 dyne/cm; (17)Rotatable Bond Count: 5; (18)Tautomer Count: 9; (19)Exact Mass: 373.015074; (20)MonoIsotopic Mass: 373.015074; (21)Topological Polar Surface Area: 197; (22)Heavy Atom Count: 24; (23)Complexity: 582.

Uses of 2-Thiophenecarboxylicacid,3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-: It is a kind of sulfonylurea herbicide It is used for the control of annual and perennial broad leaved weeds in wheat field.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
2. InChI:InChI=1/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19) 
3. InChIKey:LOQQVLXUKHKNIA-UHFFFAOYAX

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