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Structure

3-p-Tolylsulfanyl-propionic acid ethyl ester

CAS
85169-05-7
Catalog Number
ACM85169057
Category
Other Products
Molecular Weight
224.31924
Molecular Formula
C12H16O2S

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Specification

Synonyms
MolPort-005-937-780, EINECS 285-949-0, ZINC21990926, Ethyl 3-((4-methylphenyl)thio)propionate, CID3020476, 85169-05-7
IUPAC Name
ethyl 3-(4-methylphenyl)sulfanylpropanoate
Canonical SMILES
CCOC(=O)CCSC1=CC=C(C=C1)C
InChI Key
JHQSBVMORQJICP-UHFFFAOYSA-N
Boiling Point
321.3ºC at 760 mmHg
Melting Point
56-57ºC
Flash Point
145.6ºC
Density
1.09g/cm³
EC Number
285-949-0
Exact Mass
224.08700
H-Bond Acceptor
2
H-Bond Donor
0
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