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Home> Hot Product Listed S   > STOCK7S-07671
6318-38-3 structure

STOCK7S-07671

Iupac Name:(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CAS No.:6318-38-3
Molecular Weight:273.131
Molecular Formula:C21H26N2O2S (isomer)
Names and Identifiers
Synonyms

3-(2,6-dichlorobenzyl)-n-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide 3-[(2,6-dichlorophenyl)methyl]-n-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide AKOS005758873 BG00727563 CHEMBL3438775 MCULE-7508223118 MOLPORT-009-651-398 STL159425 ZINC49547599

Inchi
InChI=1S/C10H6Cl2N2OS/c11-6-2-1-5(7(12)4-6)3-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)/b8-3-
InChkey
XAMWGBWREMYZKV-BAQGIRSFSA-N
Canonical Smiles
C1=CC(=C(C=C1Cl)Cl)C=C2C(=O)NC(=S)N2
Properties
Refractive Index
1.718
Computational chemical data
  • Molecular Weight:273.131g/mol
  • Molecular Formula:C21H26N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:271.958
  • Monoisotopic Mass:271.958
  • Complexity:359
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:73.2A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzIABGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgYQAAAADAqBmCAxAILAAACM AiVSUACCAAAgBwkIiACAAsiIYCKBEzCQIAAogQIIiYcAgAAOBAAAAACBAAAIAAAAAQIAAAAAAAAA AA==
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