chempirical

Diafenthiuron

C23H32N2OSCAS 80060-09-9384.58 g/mol

Open in Covalent MOL file
ONSHNH
EtherThiol

Properties

Molecular formula
C23H32N2OS
Molar mass
384.58 g/mol
Exact mass
384.2235 Da
Melting point
146 °C
logP
7.03Crippen estimate
Polar surface area
33.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
80060-09-9
SMILES
CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N=C(S)NC(C)(C)C
InChIKey
WOWBFOBYOAGEEA-UHFFFAOYSA-N
InChI
InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)

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Names and synonyms

13 names · show all
  • Thiourea, N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N′-(1,1-dimethylethyl)-
  • N-[2,6-Bis(1-methylethyl)-4-phenoxyphenyl]-N′-(1,1-dimethylethyl)thiourea
  • CGA 106630
  • Polo
  • Pegasus
  • Pegasus (pesticide)
  • Dingminiao
  • Gamba
  • 1-tert-Butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
  • Phoenix
  • Phoenix (thiourea insecticide)
  • Polo 500 SC
  • Polo 500

Work with Diafenthiuron

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

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene80058-93-149 % similar N,N′-Bis(1,1-dimethylethyl)thiourea4041-95-631 % similar Fenoprofen31879-05-731 % similar Rot 300123174-58-331 % similar

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

Elsewhere

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