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Home> Encyclopedia > Hot Product Listed 2   > 2,5-Pyrrolidinedione,1-[2-[[2-(phosphonothio)ethyl]amino]ethyl]-, monosodium salt (9CI)
886366-40-1 structure

2,5-Pyrrolidinedione,1-[2-[[2-(phosphonothio)ethyl]amino]ethyl]-, monosodium salt (9CI)

Iupac Name:ethyl 4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxylate
CAS No.:886366-40-1
EINECS(EC#): 227-794-3
Molecular Weight:301.283
Molecular Formula:C26H24O5 (isomer)
Names and Identifiers
Synonyms

2-(2-succinimidoethylamino)ethanethiol monosodium phosphate (ester) trihydrate AC1Q1VBV ethanethiol, 2-(2-succinimidoethylamino)-,monosodium phosphate (ester) trihydrate LS-147606 n-(2-(2-mercaptoethylamino)ethyl)succinimide, monosodium phosphate (ester) trihydrate Phosphorothioicacid, S-ester with N-[2-[(2-mercaptoethyl)amino]ethyl]succinimide, monosodiumsalt (8CI) S-2-(2-Succinimidoethylamino)ethyl sodium hydrogen phosphorothioate s-2-(2-succinimidoethylamino)ethyl sodium hydrogen phosphorothioate trihydrate sodium s-(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}ethyl) hydrogen phosphorothioate succinimide, n-(2-(2-mercaptoethylamino)ethyl)-, monosodium phosphorothioate (ester), trihydrate

Inchi
InChI=1S/C13H10F3NO2S/c1-2-19-12(18)11-17-10(7-20-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChkey
XNKCBYPFAKQKHU-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=NC(=CS1)C2=CC=C(C=C2)C(F)(F)F
Properties
Boiling Point
695.3°Cat760mmHg
Flash Point
33 °C
Computational chemical data
  • Molecular Weight:301.283g/mol
  • Molecular Formula:C26H24O5
  • Compound Is Canonicalized:True
  • Exact Mass:301.038
  • Monoisotopic Mass:301.038
  • Complexity:343
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:20
  • 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: AAADccByMYBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwQAAAAADAil3hKyiZIIFAis AyTyTASC8KBjCjgIiDSwJJgKIKKgkTGHIAhggAC4iAcQgMAOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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