Benzeneacetic acid, 4-(methylthio)-, ethyl ester


Chemical Name: Benzeneacetic acid, 4-(methylthio)-, ethyl ester
CAS Number: 14062-27-2
Product Number: AG001CLC(AGN-PC-0N5PYS)
Synonyms:
MDL No:
Molecular Formula: C11H14O2S
Molecular Weight: 210.2927

Identification/Properties


Properties
BP:
301.637°C at 760 mmHg
Computed Properties
Molecular Weight:
210.291g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
210.071g/mol
Monoisotopic Mass:
210.071g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
174
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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