Athidathion

CAS Registry Number®

19691-80-6

CAS Name

Athidathion

Molecular Formula

C8H15N2O4PS3

Molecular Mass

330.38

Cite this Page

Athidathion.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19691-80-6 (retrieved 2024-11-21) (CAS RN: 19691-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    43-44 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H15N2O4PS3/c1-4-13-15(16,14-5-2)17-6-10-8(11)18-7(9-10)12-3/h4-6H2,1-3H3

InChIKey

InChIKey=QAOFKYGUSMPWNY-UHFFFAOYSA-N

SMILES

P(SCN1C(=O)SC(OC)=N1)(OCC)(OCC)=S

Canonical SMILES

O=C1SC(=NN1CSP(=S)(OCC)OCC)OC

Other Names for this Substance

  • Phosphorodithioic acid, O,O-diethyl S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] ester
  • Phosphorodithioic acid, O,O-diethyl ester, S-ester with 4-(mercaptomethyl)-2-methoxy-Δ2-1,3,4-thiadiazolin-5-one
  • Δ2-1,3,4-Thiadiazolin-5-one, 4-(mercaptomethyl)-2-methoxy-, S-ester with O,O-diethyl phosphorodithioate
  • GS 13006
  • Athidathion

Deleted or Replaced CAS Registry Numbers

857185-72-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration