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Thifensulfuron-Methyl

CAT: 1299-RG-A260911-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260911-03Size:50 mg
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CAS Number
79277-27-3
Synonyms
Thifensulfuron-methyl
Molecular Formula
C12H13N5O6S2
Molecular Weight
387.39
Product Name Synonym
Thifensulfuron-methyl

Chemical Information

Thifensulfuron methyl

Thifensulfuron-methyl is a methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a methyl ester, a member of 1,3,5-triazines, a member of thiophenes and a N-sulfonylurea. It is functionally related to a thifensulfuron.

CAS Number79277-27-3
PubChem CID73674
IUPAC Namemethyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Molecular FormulaC12H13N5O6S2
Molecular Weight387.4
XLogP1.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity597
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC
InChI
InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
InChIKey
AHTPATJNIAFOLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thifensulfuron methyl
CAS: 79277-27-3
CID: 73674
Formula: C12H13N5O6S2
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass387.03072550
Monoisotopic Mass387.03072550
Topological Polar Surface Area186 Ų
Heavy Atom Count25
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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