Bensulide

CAS Registry Number®

741-58-2
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CAS Name

Bensulide

Molecular Formula

C14H24NO4PS3

Molecular Mass

397.51

Cite this Page

Bensulide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=741-58-2 (retrieved 2024-07-14) (CAS RN: 741-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    34.4 °C
  • Density (1)

    1.23 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3

InChIKey

InChIKey=RRNIZKPFKNDSRS-UHFFFAOYSA-N

SMILES

S(NCCSP(OC(C)C)(OC(C)C)=S)(=O)(=O)C1=CC=CC=C1

Canonical SMILES

O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)C=1C=CC=CC1

Other Names for this Substance

  • Phosphorodithioic acid, O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl] ester
  • Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with N-(2-mercaptoethyl)benzenesulfonamide
  • R 4461
  • Bensulide
  • Betasan

Deleted or Replaced CAS Registry Numbers

39291-71-9