Propanoic acid, 3-(methylthio)-, ethyl ester


Chemical Name: Propanoic acid, 3-(methylthio)-, ethyl ester
CAS Number: 13327-56-5
Product Number: AG0014J0(AGN-PC-07A1YQ)
Synonyms:
MDL No:
Molecular Formula: C6H12O2S
Molecular Weight: 148.2233

Identification/Properties


Properties
BP:
200.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.46(lit.)
Computed Properties
Molecular Weight:
148.22g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
148.056g/mol
Monoisotopic Mass:
148.056g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
83.1
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


NMR Spectrum


Other Analytical Data


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