Propanoic acid, 3-mercapto-, ethyl ester


Chemical Name: Propanoic acid, 3-mercapto-, ethyl ester
CAS Number: 5466-06-8
Product Number: AG003Q81(AGN-PC-0JKG02)
Synonyms:
MDL No:
Molecular Formula: C5H10O2S
Molecular Weight: 134.1967

Identification/Properties


Properties
BP:
75-76 °C/10 mmHg(lit.)
Storage:
Keep container tightly closed;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.457(lit.)
Computed Properties
Molecular Weight:
134.2g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
134.040151g/mol
Monoisotopic Mass:
134.040151g/mol
Topological Polar Surface Area:
27.3Ų
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
72.8
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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