Compound Identification
SMILES
CS(C)=O.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChIKey
InChIKey=CNQQNSWJYHOBJD-UFLZEWODSA-N
Formula
C12H22N2O4S2
Mass
322.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Biotin and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Biotin and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Biotin and derivatives
Alternative Parents
Medium-chain fatty acids Thia fatty acids Heterocyclic fatty acids Thiolanes Imidazolines Sulfoxides Isoureas Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Sulfinyl compounds Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Biotin - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - 2-imidazoline - Thiolane - Isourea - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Carboximidamide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
External Descriptors
Not available