Compound Identification
SMILES
[Br-].C1C[S+]2CCCCCC2(S1)C1=CC=CC=C1
InChIKey
InChIKey=JFHMVBLFRIASCP-UHFFFAOYSA-M
Formula
C14H19BrS2
Mass
331.33
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
Dithioketals Benzene and substituted derivatives 1,3-dithiolanes Dialkylthioethers Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiepane - Dithioketal - Benzenoid - Monocyclic benzene moiety - 1,3-dithiolane - Dithiolane - Dialkylthioether - Thioether - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic heteropolycyclic 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