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(Q82574345)
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English
2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethan-1-amine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
241.113649848
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₉NO₂S
0 references
canonical SMILES
CCOC1=C(C=C(C=C1SC)CCN)OC
0 references
Identifiers
InChI
InChI=1S/C12H19NO2S/c1-4-15-12-10(14-2)7-9(5-6-13)8-11(12)16-3/h7-8H,4-6,13H2,1-3H3
0 references
InChIKey
LRYPRFGBZRIFIX-UHFFFAOYSA-N
0 references
CAS Registry Number
90132-37-9
0 references
PubChem CID
44350018
0 references
SureChEMBL ID
SCHEMBL20970860
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LRYPRFGBZRIFIX-UHFFFAOYSA-N
UniChem compound ID
14779
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50658373
1 reference
matched by identifier from
InChIKey
InChIKey
LRYPRFGBZRIFIX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90609122
0 references
UNII
HS9Q2YB7D3
1 reference
matched by identifier from
InChIKey
InChIKey
LRYPRFGBZRIFIX-UHFFFAOYSA-N
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