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Triasulfuron

CAT: 0572-TRC-T007645-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T007645-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82097-50-5
Hazard Statement
Harmful if inhaled; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
Molecular Formula
C14 H16 Cl N5 O5 S
Molecular Weight
401.83
InChI
InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
Additionnal Information
IUPAC name: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Triasulfuron

Triasulfuron is an N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life. It has a role as a herbicide and an agrochemical. It is an organochlorine compound, a methoxy-1,3,5-triazine and a N-sulfonylurea.

CAS Number82097-50-5
PubChem CID73282
IUPAC Name1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Molecular FormulaC14H16ClN5O5S
Molecular Weight401.8
XLogP2.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl
InChI
InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKey
XOPFESVZMSQIKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triasulfuron
CAS: 82097-50-5
CID: 73282
Formula: C14H16ClN5O5S
MW: 401.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.8
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass401.0560675
Monoisotopic Mass401.0560675
Topological Polar Surface Area141 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
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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