MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2-Ethylbenzothiazole
Properties
Image
MNX_ID
MNXM116726
reference
hmdb:HMDB0040034
formula
C
9
H
9
NS
global charge
0
mol weight
163.245
InChIKey
CVULGJIRGZVJHQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
SMILES
CCC1=NC2=CC=CC=C2S1
MNX internals
InChI (mnx)
InChI=1/C9H9NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
SMILES (mnx)
[CH3:1][CH2:2][C:9]1=[N:10][C:7]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:8]2[S:11]1
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0040034
CVULGJIRGZVJHQ-UHFFFAOYSA-N
2-Ethylbenzothiazole
2-ethyl-1,3-benzothiazole
hmdb:HMDB40034
secondary/obsolete/fantasy identifier