chempirical

Thifensulfuron methyl

C12H13N5O6S2CAS 79277-27-3387.39 g/mol

Open in Covalent MOL file
OOSSOONHONNNOHN
EsterEther

Properties

Molecular formula
C12H13N5O6S2
Molar mass
387.39 g/mol
Exact mass
387.0307 Da
Melting point
176 °C
logP
0.17Crippen estimate
Polar surface area
156.2 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
4

Identifiers

CAS number
79277-27-3
SMILES
COC(=O)c1sccc1S(=O)(=O)N=C(O)N=c1nc(C)nc(OC)[nH]1
InChIKey
AHTPATJNIAFOLR-UHFFFAOYSA-N
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)

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester
  • DPX-M 6316
  • Harmony
  • Thiameturon-methyl
  • Thifensulfuron methyl ester
  • Harmony 75DF
  • Pinnacle
  • Refine
  • Refine DF
  • Pinnacle 25DF
  • Harmony GT-XP
  • Harmony GT
  • Harmony SX

Work with Thifensulfuron methyl

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

Thifensulfuron79277-67-181 % similar Metsulfuron-methyl74223-64-673 % similar Chlorsulfuron64902-72-362 % similar Triasulfuron82097-50-557 % similar Prosulfuron94125-34-556 % similar Iodosulfuron methyl ester sodium salt144550-36-744 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-842 % similar Cinosulfuron94593-91-641 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook