chempirical

Triasulfuron

C14H16ClN5O5SCAS 82097-50-5401.82 g/mol

Open in Covalent MOL file
ONNNONHSOOOClHN
Alkyl halideEther

Properties

Molecular formula
C14H16ClN5O5S
Molar mass
401.82 g/mol
Exact mass
401.0561 Da
Density
1.05–1.1 g/mL
Melting point
186 °C
Boiling point
150–260 °C
logP
0.94Crippen estimate
Polar surface area
139.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
82097-50-5
SMILES
COc1nc(C)nc(=NC(O)=NS(=O)(=O)c2ccccc2OCCCl)[nH]1
InChIKey
XOPFESVZMSQIKC-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Benzenesulfonamide, 2-(2-chloroethoxy)-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]-
  • 2-(2-Chloroethoxy)-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulfonamide
  • CGA 131036
  • Logran
  • Amber
  • Amber (insecticide)

Work with Triasulfuron

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorsulfuron64902-72-372 % similar Metsulfuron-methyl74223-64-665 % similar Prosulfuron94125-34-565 % similar Cinosulfuron94593-91-662 % similar Thifensulfuron79277-67-158 % similar Thifensulfuron methyl79277-27-357 % similar 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine5248-39-535 % similar Tribenuron106040-48-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook