Compound Identification
SMILES
CCN(CC)CC#CCN=C=S
InChIKey
InChIKey=ZFXQVLHNAARSLJ-UHFFFAOYSA-N
Formula
C9H14N2S
Mass
182.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
- Class Isothiocyanates
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Isothiocyanates
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isothiocyanates
Alternative Parents
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tertiary aliphatic amine - Tertiary amine - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
External Descriptors
Not available