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21083-22-7 | 2-Thietanone, 3-methyl-
CAS No: 21083-22-7 Catalog No: AG002L0G MDL No:
Product Description
Catalog Number:
AG002L0G
Chemical Name:
2-Thietanone, 3-methyl-
CAS Number:
21083-22-7
Molecular Formula:
C4H6OS
Molecular Weight:
102.1548
IUPAC Name:
3-methylthietan-2-one
InChI:
InChI=1S/C4H6OS/c1-3-2-6-4(3)5/h3H,2H2,1H3
InChI Key:
KANHTMXMAWADED-UHFFFAOYSA-N
SMILES:
CC1CSC1=O
Properties
Complexity:
79.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.014g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.151g/mol
Monoisotopic Mass:
102.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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