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75832-79-0 | 2-Pentanone,3-mercapto-4-methyl-
CAS No: 75832-79-0 Catalog No: AG005I3S MDL No:
Product Description
Catalog Number:
AG005I3S
Chemical Name:
2-Pentanone,3-mercapto-4-methyl-
CAS Number:
75832-79-0
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
4-methyl-3-sulfanylpentan-2-one
InChI:
InChI=1S/C6H12OS/c1-4(2)6(8)5(3)7/h4,6,8H,1-3H3
InChI Key:
GVDXJPHOFKMDJV-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)C)S)C
Properties
Complexity:
88.5
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:
1
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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