Compound Identification
SMILES
NCCS(O)(=O)=O.CCN(Cl)C(=O)NN=O
InChIKey
InChIKey=TZDBIVMOPXBTRG-UHFFFAOYSA-N
Formula
C5H13ClN4O5S
Mass
276.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic carbonic acids and derivatives
-
Subclass
Ureas
- Level 5 Nitrosoureas
-
Subclass
Ureas
-
Class
Organic carbonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Subclass
Ureas
Intermediate Tree Nodes
Not available
Direct Parent
Nitrosoureas
Alternative Parents
Sulfonyls Semicarbazides Organosulfonic acids Nitrosamides Alkanesulfonic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Nitrosourea - Semicarbazide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Nitrosamide - Alkanesulfonic acid - Sulfonyl - Organic n-nitroso compound - Organic nitroso compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as nitrosoureas. These are compounds containing a nitro group and an urea group N-N linked together, with the general structure R1N(R2)C(=O)N(R3)N=O.
External Descriptors
Not available