Propanoic acid, 2-mercapto-, ethyl ester


Chemical Name: Propanoic acid, 2-mercapto-, ethyl ester
CAS Number: 19788-49-9
Product Number: AG002B4S(AGN-PC-0JS91I)
Synonyms:
MDL No:
Molecular Formula: C5H10O2S
Molecular Weight: 134.1967

Identification/Properties


Properties
BP:
171.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.449(lit.)
Computed Properties
Molecular Weight:
134.193g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
134.04g/mol
Monoisotopic Mass:
134.04g/mol
Topological Polar Surface Area:
27.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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