Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinone,5-(ethylthio)-1-(phenylsulfonyl)-
91599-46-1 structure

2-Pyrrolidinone,5-(ethylthio)-1-(phenylsulfonyl)-

Iupac Name:3-amino-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
CAS No.:91599-46-1
Molecular Weight:152.117
Molecular Formula:C20H19CL2NO3 (isomer)
Names and Identifiers
Synonyms

(+/-)1-benzenesulphonyl-2-oxo-5-ethylthiopyrrolidine 1-(benzenesulfonyl)-5-(ethylsulfanyl)pyrrolidin-2-one 1-(benzenesulfonyl)-5-ethylsulfanylpyrrolidin-2-one 1-benzenesulphonyl-2-oxo-5-ethylthio-pyrrolidine 2-pyrrolidinone, 5-(ethylthio)-1-(phenylsulfonyl)- 5-(ethylthio)-1-(phenylsulfonyl)-2-pyrrolidinone 5-(ethylthio)-1-(phenylsulfonyl)pyrrolidin-2-one AC1MIQY5 ACMC-1C2HB CTK4B1766 HE172763 KB-243861 LS-138817 SCHEMBL9656063 WVGGNULLTIRBIL-UHFFFAOYSA-N

Inchi
InChI=1S/C4H4N6O/c5-2-3(11)10-4(9-8-2)6-1-7-10/h1H,(H2,5,8)(H,6,7,9)
InChkey
FNUPWTHCEMQTPO-UHFFFAOYSA-N
Canonical Smiles
C1=NC2=NN=C(C(=O)N2N1)N
Properties
Density
1.241
Boiling Point
547.7°C at 760 mmHg
Flash Point
105.5 °C
Computational chemical data
  • Molecular Weight:152.117g/mol
  • Molecular Formula:C20H19CL2NO3
  • Compound Is Canonicalized:True
  • Exact Mass:152.045
  • Monoisotopic Mass:152.045
  • Complexity:302
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<