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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2-Butylbenzothiazole
Properties
Image
MNX_ID
MNXM116668
reference
chebi:179059
formula
C
11
H
13
NS
global charge
0
mol weight
191.299
InChIKey
TUCSLJFYSQXGEV-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NS/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
SMILES
CCCCC1=NC2=C(C=CC=C2)S1
MNX internals
InChI (mnx)
InChI=1/C11H13NS/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h4-7H,2-3,8H2,1H3
SMILES (mnx)
[CH3:1][CH2:2][CH2:3][CH2:8][C:11]1=[N:12][C:9]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:10]2[S:13]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:HMDB0040031
CHEBI:179059
chebi:179059
TUCSLJFYSQXGEV-UHFFFAOYSA-N
2-Butylbenzothiazole
2-butyl-1,3-benzothiazole
hmdb:HMDB40031
secondary/obsolete/fantasy identifier