Compound Identification
SMILES
CC(=O)C1=C(C)OC(CS1)C1=CC=CC=C1
InChIKey
InChIKey=SXPCNQFTHFXBOX-UHFFFAOYSA-N
Formula
C13H14O2S
Mass
234.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxathiins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxathiins
Alternative Parents
Benzene and substituted derivatives Vinylogous esters Thioenol ethers Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenoid - 1,4-oxathiin - Monocyclic benzene moiety - Vinylogous ester - Thioenolether - Ketone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxathiins. These are compounds containing an oxathiin moiety, which consists of an unsaturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiin, 1,3-oxathiin,and 1,4-oxathiin.
External Descriptors
Not available