7-Methylsulfinylheptyl isothiocyanate

CAS Registry Number®

129244-98-0
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CAS Name

7-Methylsulfinylheptyl isothiocyanate

Molecular Formula

C9H17NOS2

Molecular Mass

219.37

Cite this Page

7-Methylsulfinylheptyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129244-98-0 (retrieved 2024-08-19) (CAS RN: 129244-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3

InChIKey

InChIKey=OGYHCBGORZWBPH-UHFFFAOYSA-N

SMILES

C(CCCN=C=S)CCCS(C)=O

Canonical SMILES

O=S(C)CCCCCCCN=C=S

Other Names for this Substance

  • Heptane, 1-isothiocyanato-7-(methylsulfinyl)-
  • 1-Isothiocyanato-7-(methylsulfinyl)heptane
  • 7-Methylsulfinylheptyl isothiocyanate