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(Q82246644)
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English
Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
268.059171752
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₂S₂
0 references
canonical SMILES
CCOC(=O)C(C)(C)SC(=S)C1=CC=CC=C1
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Identifiers
InChI
InChI=1S/C13H16O2S2/c1-4-15-12(14)13(2,3)17-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
0 references
InChIKey
MDFLMFRGXQRZII-UHFFFAOYSA-N
0 references
CAS Registry Number
201611-84-9
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PubChem CID
9900072
0 references
SureChEMBL ID
SCHEMBL164403
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDFLMFRGXQRZII-UHFFFAOYSA-N
UniChem compound ID
25181152
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70432571
0 references
DSSTOX compound identifier
DTXCID90383399
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