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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinone,5-(ethylthio)-1-(phenylsulfonyl)-
20559-55-1 structure

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

Iupac Name:methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
CAS No.:20559-55-1
Molecular Weight:249.2658
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/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChkey
RAOCRURYZCVHMG-UHFFFAOYSA-N
Canonical Smiles
CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
Properties
Density
1.241
Melting Point
230-231℃
Boiling Point
547.7°C at 760 mmHg
Refractive Index
1.634
Flash Point
105.5 °C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:249.2658g/mol
  • Molecular Formula:C20H19CL2NO3
  • XLogP3-AA:2.4
  • Exact Mass:249.111341
  • Monoisotopic Mass:249.111341
  • Complexity:288
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:76.2
  • Heavy Atom Count:18
  • 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
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