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14109-72-9 | 2-Propanone, 1-(methylthio)-
CAS No: 14109-72-9 Catalog No: AG001FW6 MDL No:MFCD00015325
Product Description
Catalog Number:
AG001FW6
Chemical Name:
2-Propanone, 1-(methylthio)-
CAS Number:
14109-72-9
Molecular Formula:
C4H8OS
Molecular Weight:
104.1707
MDL Number:
MFCD00015325
IUPAC Name:
1-methylsulfanylpropan-2-one
InChI:
InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3
InChI Key:
UKFADLGENFFWHR-UHFFFAOYSA-N
SMILES:
CSCC(=O)C
UNII:
S6V0DW7BQA
FEMA Number:
3882
Properties
Complexity:
51.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.03g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.167g/mol
Monoisotopic Mass:
104.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| New easy approach to the synthesis of 2,5-disubstituted and 2,4,5-trisubstituted 1,3-oxazoles. The reaction of 1-(methylthio)acetone with nitriles. | The Journal of organic chemistry 20060414 |
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