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(Q82448941)
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English
4-(Trifluoromethyl)-1,3-benzothiazole
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
203.001654788
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₄F₃NS
0 references
canonical SMILES
C1=CC(=C2C(=C1)SC=N2)C(F)(F)F
0 references
Identifiers
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)5-2-1-3-6-7(5)12-4-13-6/h1-4H
0 references
InChIKey
AIPBYYUSDFZPQP-UHFFFAOYSA-N
0 references
CAS Registry Number
131106-69-9
0 references
PubChem CID
14810651
1 reference
matched by identifier from
InChIKey
InChIKey
AIPBYYUSDFZPQP-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL15465950
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIPBYYUSDFZPQP-UHFFFAOYSA-N
UniChem compound ID
59811162
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70564280
1 reference
matched by identifier from
InChIKey
InChIKey
AIPBYYUSDFZPQP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30515056
0 references
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