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(Q82573467)
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English
5-tert-Butyl-1,3-dimethyl-2-(trifluoro-lambda~4~-sulfanyl)benzene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
250.100306204
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₇F₃S
0 references
canonical SMILES
CC1=CC(=CC(=C1S(F)(F)F)C)C(C)(C)C
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Identifiers
InChI
InChI=1S/C12H17F3S/c1-8-6-10(12(3,4)5)7-9(2)11(8)16(13,14)15/h6-7H,1-5H3
0 references
InChIKey
VRTQPEYVMHATOA-UHFFFAOYSA-N
0 references
CAS Registry Number
947725-04-4
0 references
PubChem CID
44184700
1 reference
matched by identifier from
InChIKey
InChIKey
VRTQPEYVMHATOA-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL895751
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VRTQPEYVMHATOA-UHFFFAOYSA-N
UniChem compound ID
24682499
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10657802
0 references
DSSTOX compound identifier
DTXCID10608551
0 references
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