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CHEBI:228645 - 2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile

ChEBI IDCHEBI:228645
ChEBI Name2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClN2S
Net Charge0
Average Mass238.743
Monoisotopic Mass238.03315
SMILESN#Cc1c(Cl)cccc1N1CCSCC1
InChIInChI=1S/C11H11ClN2S/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyWXUQVNPKFQFHGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile (CHEBI:228645) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-chloro-6-(1,4-thiazinan-4-yl)benzonitrile (CHEBI:228645) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
2-chloro-6-thiomorpholin-4-ylbenzonitrile
Manual XrefsDatabases
303715ChemSpider