2-Butanone, 4-(methylthio)-


Chemical Name: 2-Butanone, 4-(methylthio)-
CAS Number: 34047-39-7
Product Number: AG003LSW(AGN-PC-0JL4QV)
Synonyms:
MDL No:
Molecular Formula: C5H10OS
Molecular Weight: 118.1973

Identification/Properties


Properties
BP:
185.9°C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Refractive Index:
n20/D 1.473(lit.)
Computed Properties
Molecular Weight:
118.194g/mol
XLogP3:
0.5
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:
H227
Precautionary Statements:
P210-P280-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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