Name: Thifensulfuron
SKU: 79277-67-1

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Basic Information

Molecular Structure:
CAS No.:	79277-67-1
Name:	Thifensulfuron
Article Data:	6

Formula:	C₁₁H₁₁N₅O₆S₂
Molecular Weight:	373.37
Synonyms:	UNII-R1O5RY2GKC;
Density:	1.674 g/cm³
PSA:	197.09000
LogP:	2.00340

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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