WR 3689

CAS Registry Number®

20751-90-0

CAS Name

WR 3689

Molecular Formula

C6H17N2O3PS

Molecular Mass

228.25

Cite this Page

WR 3689.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20751-90-0 (retrieved 2024-10-07) (CAS RN: 20751-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C6H17N2O3PS/c1-7-3-2-4-8-5-6-13-12(9,10)11/h7-8H,2-6H2,1H3,(H2,9,10,11)

InChIKey

InChIKey=ZGSGBCBFJJASJA-UHFFFAOYSA-N

SMILES

S(CCNCCCNC)P(=O)(O)O

Canonical SMILES

O=P(O)(O)SCCNCCCNC

Other Names for this Substance

  • Ethanethiol, 2-[[3-(methylamino)propyl]amino]-, 1-(dihydrogen phosphate)
  • Phosphorothioic acid, S-[2-[[3-(methylamino)propyl]amino]ethyl] ester
  • Ethanethiol, 2-[[3-(methylamino)propyl]amino]-, dihydrogen phosphate (ester)
  • WR 3689
  • NSC 327729

View All

Deleted or Replaced CAS Registry Numbers

58319-24-7

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox