Compound Identification
SMILES
CC(O)=O.CC(O)=O.NCCSC(N)=N
InChIKey
InChIKey=KZBDSVRBNSARTK-UHFFFAOYSA-N
Formula
C7H17N3O4S
Mass
239.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
- Class Isothioureas
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Isothioureas
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isothioureas
Alternative Parents
Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Monoalkylamines Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Isothiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Sulfenyl compound - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Imine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).
External Descriptors
Not available