Tribenuron

C₁₄H₁₅N₅O₆SCAS 106040-48-6381.36 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₄H₁₅N₅O₆S
Molar mass: 381.36 g/mol
Exact mass: 381.0743 Da
logP: 0.63Crippen estimate
Polar surface area: 155.2 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 5

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

106040-48-6

SMILES

COc1nc(C)nc(N(C)C(O)=NS(=O)(=O)c2ccccc2C(=O)O)n1

InChIKey

BQZXUHDXIARLEO-UHFFFAOYSA-N

InChI

InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]-
2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]benzoic acid

Work with Tribenuron

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tribenuron101200-48-081 % similar Chlorimuron99283-00-838 % similar Chlorsulfuron64902-72-337 % similar Thifensulfuron79277-67-137 % similar 2-Methanesulfonylbenzoic acid33963-55-236 % similar 2-Methoxybenzoic acid529-75-935 % similar o-Anisic acid579-75-935 % similar Saccharin81-07-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Metsulfuron-methyl74223-64-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook