Compound Identification
SMILES
CC(C)SC1(CCCS(=O)O1)C(O)C1=CC=CC=C1
InChIKey
InChIKey=NHBSVHOJFIRMTB-UHFFFAOYSA-N
Formula
C14H20O3S2
Mass
300.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxathianes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxathianes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxathianes
Alternative Parents
Benzene and substituted derivatives Secondary alcohols Alkanesulfinic acids and derivatives Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - 1,2-oxathiane - Benzenoid - Secondary alcohol - Alkanesulfinic acid or derivatives - Sulfinic acid derivative - Oxacycle - Sulfenyl compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxathianes. These are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane.
External Descriptors
Not available