Isoxyl

CAS Registry Number®

910-86-1
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CAS Name

Isoxyl

Molecular Formula

C23H32N2O2S

Molecular Mass

400.58

Cite this Page

Isoxyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=910-86-1 (retrieved 2024-04-18) (CAS RN: 910-86-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)

InChIKey

InChIKey=BWBONKHPVHMQHE-UHFFFAOYSA-N

SMILES

N(C(NC1=CC=C(OCCC(C)C)C=C1)=S)C2=CC=C(OCCC(C)C)C=C2

Canonical SMILES

S=C(NC1=CC=C(OCCC(C)C)C=C1)NC2=CC=C(OCCC(C)C)C=C2

Other Names for this Substance

  • Thiourea, N,N′-bis[4-(3-methylbutoxy)phenyl]-
  • Carbanilide, 4,4′-bis(isopentyloxy)thio-
  • N,N′-Bis[4-(3-methylbutoxy)phenyl]thiourea
  • 4,4′-Bis(isoamyloxy)thiocarbanilide
  • 4,4′-Bis(isopentyloxy)thiocarbanilide

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Deleted or Replaced CAS Registry Numbers

13006-82-1

CAS INSIGHTSTM
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