Tioclomarol

CAS Registry Number®

22619-35-8
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CAS Name

Tioclomarol

Molecular Formula

C22H16Cl2O4S

Molecular Mass

447.33

Cite this Page

Tioclomarol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22619-35-8 (retrieved 2024-04-16) (CAS RN: 22619-35-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2

InChIKey

InChIKey=WRGOVNKNTPWHLZ-UHFFFAOYSA-N

SMILES

C(CC(O)C1=CC=C(Cl)C=C1)(C2=C(O)C=3C(OC2=O)=CC=CC3)C=4SC(Cl)=CC4

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C(C=3SC(Cl)=CC3)CC(O)C4=CC=C(Cl)C=C4

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-[3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)-3-hydroxypropyl]-4-hydroxy-
  • Coumarin, 3-[5-chloro-α-(p-chloro-β-hydroxyphenethyl)-2-thenyl]-4-hydroxy-
  • 3-[3-(4-Chlorophenyl)-1-(5-chloro-2-thienyl)-3-hydroxypropyl]-4-hydroxy-2H-1-benzopyran-2-one
  • Tioclomarol
  • Apegmone

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