Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:115099 - 2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol
ChEBI ID
CHEBI:115099
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H17NO2S
Net Charge
0
Average Mass
275.368
Monoisotopic Mass
275.09800
InChI
InChI=1S/C15H17NO2S/c1-18-14-9-11(7-8-13(14)17)10-16-12-5-3-4-6-15(12)19-2/h3-9,16-17H,10H2,1-2H3
InChIKey
MVAFKNJHVWDJGK-UHFFFAOYSA-N
SMILES
COC1=C(C=CC(=C1)CNC2=CC=CC=C2SC)O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol (
CHEBI:115099
)
is a
aromatic amine (
CHEBI:33860
)
Manual Xref
Database
LSM-26560
LINCS
View more database links