6-Methylsulfinylhexyl isothiocyanate

CAS Registry Number®

4430-35-7
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CAS Name

6-Methylsulfinylhexyl isothiocyanate

Molecular Formula

C8H15NOS2

Molecular Mass

205.34

Cite this Page

6-Methylsulfinylhexyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4430-35-7 (retrieved 2024-04-23) (CAS RN: 4430-35-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3

InChIKey

InChIKey=XQZVZULJKVALRI-UHFFFAOYSA-N

SMILES

C(CCCN=C=S)CCS(C)=O

Canonical SMILES

O=S(C)CCCCCCN=C=S

Other Names for this Substance

  • Hexane, 1-isothiocyanato-6-(methylsulfinyl)-
  • Isothiocyanic acid, 6-(methylsulfinyl)hexyl ester
  • 1-Isothiocyanato-6-(methylsulfinyl)hexane
  • Hesperin
  • 6-Methylsulfinylhexyl isothiocyanate

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