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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinone,5-(ethylthio)-1-(phenylsulfonyl)-
1187187-10-5 structure

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

Iupac Name:butyl 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate
CAS No.:1187187-10-5
Molecular Weight:327.143
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/C17H18BNO5/c1-2-3-8-22-17(20)12-4-7-16(19-10-12)24-14-5-6-15-13(9-14)11-23-18(15)21/h4-7,9-10,21H,2-3,8,11H2,1H3
InChkey
BJXLLSAUQIAPDB-UHFFFAOYSA-N
Canonical Smiles
B1(C2=C(CO1)C=C(C=C2)OC3=NC=C(C=C3)C(=O)OCCCC)O
Isomers Smiles
B1(C2=C(CO1)C=C(C=C2)OC3=NC=C(C=C3)C(=O)OCCCC)O
Properties
Density
1.241
Boiling Point
547.7°C at 760 mmHg
Flash Point
105.5 °C
Computational chemical data
  • Molecular Weight:327.143g/mol
  • Molecular Formula:C20H19CL2NO3
  • Compound Is Canonicalized:True
  • Exact Mass:327.128
  • Monoisotopic Mass:327.128
  • Complexity:424
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:77.9A^2
  • Heavy Atom Count:24
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceJ6OAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAEgBwAAoHgAACAAADAThmgY+jpIIFACo AjD3TACCiCA1IiAI2CE+bNgMJvrEtZuOOajmwBHI6cfY9ToOAAABAAAAAAAAAAIAAAAAAAAAAAAA AA==
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