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Home> Hot Product Listed P   > Phosphorothioic acid,O-ethyl ester, O,O-diester with p-hydroxy-N,N-dimethylbenzenesulfonamide(7CI,8C...
1032350-05-2 structure

Phosphorothioic acid,O-ethyl ester, O,O-diester with p-hydroxy-N,N-dimethylbenzenesulfonamide(7CI,8CI)

Iupac Name:1-(4-bromophenyl)cyclobutane-1-carboxamide
CAS No.:1032350-05-2
EINECS(EC#): 205-042-5
Molecular Weight:254.127
Molecular Formula:C22H32CLNO3 (isomer)
Names and Identifiers
Synonyms

4-[[4-(dimethylsulfamoyl)phenoxy]-ethoxyphosphinothioyl]oxy-n,n-dimethylbenzenesulfonamide AC1L45J4 DTXSID70184785 LS-108905 o,o-(bis(n,n-dimethyl-p-sulfamoyl)phenyl) o-ethyl phosphorothioate OR255964 phosphorothioic acid o-ethyl o,o-bis[p-(n,n-dimethylsulfamoyl)phenyl] ester phosphorothioic acid, o-ethyl ester, o,o-ester with bis(n,n-dimethyl-p-hydroxybenzenesulfonamide) phosphorothioicacido-ethylo,o-bis[p- phenyl]ester

Inchi
InChI=1S/C11H12BrNO/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H2,13,14)
InChkey
YNCWKWDEZAQFLC-UHFFFAOYSA-N
Canonical Smiles
C1CC(C1)(C2=CC=C(C=C2)Br)C(=O)N
Properties
Density
1.131
Boiling Point
554.8°C at 760 mmHg
Flash Point
84.8°C
Computational chemical data
  • Molecular Weight:254.127g/mol
  • Molecular Formula:C22H32CLNO3
  • Compound Is Canonicalized:True
  • Exact Mass:253.01
  • Monoisotopic Mass:253.01
  • Complexity:229
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:43.1A^2
  • Heavy Atom Count:14
  • 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: AAADccByIAAAEAAAAAAAAAAAAABgAAAAAAAwAAAAAAAAAAABAAAAHgBQAAABrgCBmAAwAIBAAACI AiFSEAACAAAgAAQIiAEAAKgIIDKAlRGAIAAggAAIihcYiMCPggAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
 
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