Coumithoate

CAS Registry Number®

572-48-5

CAS Name

Coumithoate

Molecular Formula

C17H21O5PS

Molecular Mass

368.38

Cite this Page

Coumithoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=572-48-5 (retrieved 2024-11-22) (CAS RN: 572-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    88.25 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3

InChIKey

InChIKey=NSMRHYDOKZAMKJ-UHFFFAOYSA-N

SMILES

O=C1C2=C(C=3C(=CC(OP(OCC)(OCC)=S)=CC3)O1)CCCC2

Canonical SMILES

O=C1OC=2C=C(OP(=S)(OCC)OCC)C=CC2C3=C1CCCC3

Other Names for this Substance

  • Phosphorothioic acid, O,O-diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl) ester
  • Phosphorothioic acid, O,O-diethyl ester, O-ester with 7,8,9,10-tetrahydro-3-hydroxy-6H-dibenzo[b,d]pyran-6-one
  • 1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydroxyphenyl)-, δ-lactone, O-ester with O,O-diethyl phosphorothioate
  • 1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydroxyphenyl)-, δ-lactone, O,O-diethyl phosphorothioate
  • 6H-Dibenzo[b,d]pyran, phosphorothioic acid deriv.

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CAS INSIGHTSTM
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