Buthiobate

CAS Registry Number®

51308-54-4
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CAS Name

Buthiobate

Molecular Formula

C21H28N2S2

Molecular Mass

372.59

Cite this Page

Buthiobate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51308-54-4 (retrieved 2024-04-23) (CAS RN: 51308-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    31-33 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3

InChIKey

InChIKey=ZZVVDIVWGXTDRQ-UHFFFAOYSA-N

SMILES

C(SC(=NC=1C=CC=NC1)SCCCC)C2=CC=C(C(C)(C)C)C=C2

Canonical SMILES

N=1C=CC=C(N=C(SCC2=CC=C(C=C2)C(C)(C)C)SCCCC)C1

Other Names for this Substance

  • Carbonimidodithioic acid, N-3-pyridinyl-, butyl [4-(1,1-dimethylethyl)phenyl]methyl ester
  • Carbonimidodithioic acid, 3-pyridinyl-, butyl [4-(1,1-dimethylethyl)phenyl]methyl ester
  • S 1358
  • Denmert
  • N-(3-Pyridyl) S-butyl S′-(p-tert-butylbenzyl)imidodithiocarbonate

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