1-Isothiocyanato-7-(methylthio)heptane

CAS Registry Number®

4430-38-0
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CAS Name

1-Isothiocyanato-7-(methylthio)heptane

Molecular Formula

C9H17NS2

Molecular Mass

203.37

Cite this Page

1-Isothiocyanato-7-(methylthio)heptane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4430-38-0 (retrieved 2024-08-20) (CAS RN: 4430-38-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    117 °C @ Press: 0.3 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3

InChIKey

InChIKey=LDIRGNDMTOGVRB-UHFFFAOYSA-N

SMILES

C(CCCN=C=S)CCCSC

Canonical SMILES

S=C=NCCCCCCCSC

Other Names for this Substance

  • Heptane, 1-isothiocyanato-7-(methylthio)-
  • Isothiocyanic acid, 7-(methylthio)heptyl ester
  • 1-Isothiocyanato-7-(methylthio)heptane
  • 7-Methylthioheptyl isothiocyanate
  • (7-Isothiocyanatoheptyl)(methyl)sulfane