Hexadecane, 1-isothiocyanato-
CAS Registry Number®
4426-87-3
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CAS Name
Hexadecane, 1-isothiocyanato-Molecular Formula
C17H33NSMolecular Mass
283.52Cite this Page
Hexadecane, 1-isothiocyanato-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4426-87-3 (retrieved ) (CAS RN: 4426-87-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
180-194 °C @ Press: 0.35 TorrDensity (2)
0.8870 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
InChIKey
InChIKey=KLULJVSOVKADRQ-UHFFFAOYSA-N
SMILES
C(CCCCCCCCC)CCCCCCN=C=S
Canonical SMILES
S=C=NCCCCCCCCCCCCCCCC
Other Names for this Substance
- Hexadecane, 1-isothiocyanato-
- Isothiocyanic acid, hexadecyl ester
- Hexadecyl isothiocyanate
- 1-Isothiocyanatohexadecane