Compound Identification
SMILES
O=C(N=C=S)C1CCCCC1
InChIKey
InChIKey=WSAOMDFBTKKMJA-UHFFFAOYSA-N
Formula
C8H11NOS
Mass
169.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Isothiocyanates
- Subclass Isothiocyanate acids
-
Class
Isothiocyanates
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Isothiocyanates
Subclass
Isothiocyanate acids
Intermediate Tree Nodes
Not available
Direct Parent
Isothiocyanate acids
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Isothiocyanate acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as isothiocyanate acids. These are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S.
External Descriptors
Not available