Compound Identification
SMILES
O[C@H](C1=CC=CC=C1)[C@@]1(O)CCCCSC1
InChIKey
InChIKey=QQYOGGJPJINZHZ-CHWSQXEVSA-N
Formula
C13H18O2S
Mass
238.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiepanes
Alternative Parents
Benzene and substituted derivatives Tertiary alcohols Secondary alcohols 1,2-diols Dialkylthioethers Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiepane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Secondary alcohol - 1,2-diol - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom.
External Descriptors
Not available