O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate

CAS Registry Number®

299-45-6

CAS Name

O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate

Molecular Formula

C14H17O5PS

Molecular Mass

328.32

Cite this Page

O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=299-45-6 (retrieved 2024-11-21) (CAS RN: 299-45-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210 °C

  • Melting Point (1)

    38 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C14H17O5PS/c1-4-16-20(21,17-5-2)19-11-6-7-12-10(3)8-14(15)18-13(12)9-11/h6-9H,4-5H2,1-3H3

InChIKey

InChIKey=KNIUHBNRWZGIQQ-UHFFFAOYSA-N

SMILES

CC=1C=2C(=CC(OP(OCC)(OCC)=S)=CC2)OC(=O)C1

Canonical SMILES

O=C1OC=2C=C(OP(=S)(OCC)OCC)C=CC2C(=C1)C

Other Names for this Substance

  • Phosphorothioic acid, O,O-diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) ester
  • Coumarin, 7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate
  • Umbelliferone, 4-methyl-, O,O-diethyl phosphorothioate
  • O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate
  • E 838

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration