Home Other Building Blocks 1-(propylthio)propan-2-one

1-(propylthio)propan-2-one

CAS No.:
17078-37-4
Catalog Number:
AG01CA74
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
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Product Description
Catalog Number:
AG01CA74
Chemical Name:
1-(propylthio)propan-2-one
CAS Number:
17078-37-4
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
MDL Number:
MFCD12064145
IUPAC Name:
1-propylsulfanylpropan-2-one
InChI:
InChI=1S/C6H12OS/c1-3-4-8-5-6(2)7/h3-5H2,1-2H3
InChI Key:
MNYLCZGMHUPYLI-UHFFFAOYSA-N
SMILES:
CCCSCC(=O)C
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties