Acetic acid, mercapto-, ethyl ester


Chemical Name: Acetic acid, mercapto-, ethyl ester
CAS Number: 623-51-8
Product Number: AG0034WW(AGN-PC-0JKAGM)
Synonyms:
MDL No:
Molecular Formula: C4H8O2S
Molecular Weight: 120.1701

Identification/Properties


Properties
MP:
-80 °C
BP:
157.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.457(lit.)
Computed Properties
Molecular Weight:
120.166g/mol
XLogP3:
0.8
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1992
Hazard Statements:
H226-H301-H315-H319
Precautionary Statements:
P301+P310-P305+P351+P338
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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