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14660-20-9 | 2-Pentanone, 4-thioxo-
CAS No: 14660-20-9 Catalog No: AG001E66 MDL No:
Product Description
Catalog Number:
AG001E66
Chemical Name:
2-Pentanone, 4-thioxo-
CAS Number:
14660-20-9
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
IUPAC Name:
4-sulfanylidenepentan-2-one
InChI:
InChI=1S/C5H8OS/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI Key:
BGSNUDVDPJRWRH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=S)C
Properties
Complexity:
96.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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