Hexyl isothiocyanate
CAS Registry Number®
4404-45-9
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CAS Name
Hexyl isothiocyanateMolecular Formula
C7H13NSMolecular Mass
143.25Cite this Page
Hexyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4404-45-9 (retrieved ) (CAS RN: 4404-45-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
210 °CMelting Point (1)
83 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey
InChIKey=WXYAXKKXIGHXDS-UHFFFAOYSA-N
SMILES
C(CCCC)CN=C=S
Canonical SMILES
S=C=NCCCCCC
Other Names for this Substance
- Hexane, 1-isothiocyanato-
- Isothiocyanic acid, hexyl ester
- 1-Isothiocyanatohexane
- Hexyl isothiocyanate
- n-Hexyl isothiocyanate
Deleted or Replaced CAS Registry Numbers
1071559-86-8
