1-Isothiocyanato-7-(methylthio)heptane
CAS Registry Number®
4430-38-0
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CAS Name
1-Isothiocyanato-7-(methylthio)heptaneMolecular Formula
C9H17NS2Molecular Mass
203.37Cite 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 ) (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