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Home> Hot Product Listed T   > T6267955
99972-65-3 structure

T6267955

Iupac Name:(5E)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No.:99972-65-3
Molecular Weight:267.317
Molecular Formula:C19H25CLN2O6S (isomer)
Names and Identifiers
Synonyms

1-(tert-butylcarbamoyl)ethyl 2,5-dimethoxybenzoate MCULE-1929525805 MOLPORT-009-389-143 Z113181568

Inchi
InChI=1S/C11H9NO3S2/c1-15-7-4-2-3-6(9(7)13)5-8-10(14)12-11(16)17-8/h2-5,13H,1H3,(H,12,14,16)/b8-5+
InChkey
QRTIHKBCRWQQGK-VMPITWQZSA-N
Canonical Smiles
COC1=CC=CC(=C1O)C=C2C(=O)NC(=S)S2
Properties
Refractive Index
1.735
Computational chemical data
  • Molecular Weight:267.317g/mol
  • Molecular Formula:C19H25CLN2O6S
  • Compound Is Canonicalized:True
  • Exact Mass:267.002
  • Monoisotopic Mass:267.002
  • Complexity:370
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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