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3-TME
chemical compound
2-[3-(ethylsulfanyl)-4,5-dimethoxyphenyl]ethanamine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
3-TME.svg
159 × 80; 5 KB
0 references
mass
241.113649848
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₉NO₂S
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canonical SMILES
CCSC1=CC(=CC(=C1OC)OC)CCN
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Identifiers
InChI
InChI=1S/C12H19NO2S/c1-4-16-11-8-9(5-6-13)7-10(14-2)12(11)15-3/h7-8H,4-6,13H2,1-3H3
0 references
InChIKey
WHUXWWJFRBXUOQ-UHFFFAOYSA-N
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CAS Registry Number
90132-35-7
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ChemSpider ID
21106407
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PubChem CID
44350009
1 reference
matched by identifier from
InChIKey
InChIKey
WHUXWWJFRBXUOQ-UHFFFAOYSA-N
ChEMBL ID
CHEMBL126264
0 references
SureChEMBL ID
SCHEMBL20970977
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WHUXWWJFRBXUOQ-UHFFFAOYSA-N
UniChem compound ID
130029
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501336229
1 reference
matched by identifier from
InChIKey
InChIKey
WHUXWWJFRBXUOQ-UHFFFAOYSA-N
UNII
L3BC6MZN9Y
1 reference
matched by identifier from
InChIKey
InChIKey
WHUXWWJFRBXUOQ-UHFFFAOYSA-N
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