Propanethioic acid, S-ethyl ester


Chemical Name: Propanethioic acid, S-ethyl ester
CAS Number: 2432-42-0
Product Number: AG003U8R(AGN-PC-0JLPEP)
Synonyms:
MDL No:
Molecular Formula: C5H10OS
Molecular Weight: 118.1973

Identification/Properties


Computed Properties
Molecular Weight:
118.194g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
118.045g/mol
Monoisotopic Mass:
118.045g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
61.1
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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