Propanoic acid, 3-mercapto-, methyl ester


Chemical Name: Propanoic acid, 3-mercapto-, methyl ester
CAS Number: 2935-90-2
Product Number: AG002Y4I(AGN-PC-0JKDUI)
Synonyms:
MDL No:
Molecular Formula: C4H8O2S
Molecular Weight: 120.1701

Identification/Properties


Properties
BP:
164.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.464(lit.)
Computed Properties
Molecular Weight:
120.166g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
120.025g/mol
Monoisotopic Mass:
120.025g/mol
Topological Polar Surface Area:
27.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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