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(Q82038989)
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English
3-(2-Chloro-ethyl)-3H-benzothiazol-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
benzothiazole alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
213.001512556
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₈ClNOS
0 references
canonical SMILES
C1=CC=C2C(=C1)N(C(=O)S2)CCCl
0 references
Identifiers
InChI
InChI=1S/C9H8ClNOS/c10-5-6-11-7-3-1-2-4-8(7)13-9(11)12/h1-4H,5-6H2
0 references
InChIKey
VZRAYMNDMPDPBO-UHFFFAOYSA-N
0 references
CAS Registry Number
22258-71-5
0 references
PubChem CID
272711
1 reference
matched by identifier from
InChIKey
InChIKey
VZRAYMNDMPDPBO-UHFFFAOYSA-N
UniChem compound ID
9718325
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80297698
1 reference
matched by identifier from
InChIKey
InChIKey
VZRAYMNDMPDPBO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10248835
0 references
NSC number
117368
0 references
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