Butanal, 3-(methylthio)-


Chemical Name: Butanal, 3-(methylthio)-
CAS Number: 16630-52-7
Product Number: AG001WMA(AGN-PC-0JL4P9)
Synonyms:
MDL No: MFCD00036622
Molecular Formula: C5H10OS
Molecular Weight: 118.1973

Identification/Properties


Properties
BP:
174°C at 760 mmHg
Storage:
-10 ℃;Inert atmosphere;
Form:
Liquid
Computed Properties
Molecular Weight:
118.194g/mol
XLogP3:
0.7
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:
54
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


NMR Spectrum


Other Analytical Data


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