chempirical

Triallate

C10H16Cl3NOSCAS 2303-17-5304.65 g/mol

Open in Covalent MOL file
NOSClClCl
AlkeneSulfideVinyl halide

Properties

Molecular formula
C10H16Cl3NOS
Molar mass
304.65 g/mol
Exact mass
303.0018 Da
Density
1.273 g/mL (at 25 °C)
Melting point
29–30 °C
Boiling point
117 °C (at 0.3 Torr)
logP
4.84Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
2303-17-5
SMILES
CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C
InChIKey
MWBPRDONLNQCFV-UHFFFAOYSA-N
InChI
InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3

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Names and synonyms

14 names · show all
  • Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester
  • Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester
  • Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester
  • 2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate
  • CP 23426
  • Avadex BW
  • Far-go
  • S-2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
  • Dipthal
  • S-2,3,3-Trichloroallyl diisopropylthiocarbamate
  • 2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
  • Triamyl
  • NSC 379698
  • Trillate

Work with Triallate

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

Di-allate2303-16-458 % similar N,N-Bis(1-methylethyl)carbamic chloride19009-39-338 % similar

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

Elsewhere

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