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13678-58-5 | 2-Butanone, 1-(methylthio)-
CAS No: 13678-58-5 Catalog No: AG0012CZ MDL No:MFCD00209520
Product Description
Catalog Number:
AG0012CZ
Chemical Name:
2-Butanone, 1-(methylthio)-
CAS Number:
13678-58-5
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
MDL Number:
MFCD00209520
IUPAC Name:
1-methylsulfanylbutan-2-one
InChI:
InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChI Key:
GOAGGJDTOMPTSA-UHFFFAOYSA-N
SMILES:
CSCC(=O)CC
EC Number:
237-169-7
UNII:
KPY19W300G
FEMA Number:
3207
Properties
Complexity:
61.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.045g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.194g/mol
Monoisotopic Mass:
118.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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