Dihydro-2-methyl-3(2H)-thiophenone


Chemical Name: Dihydro-2-methyl-3(2H)-thiophenone
CAS Number: 13679-85-1
Product Number: AG0012DG(AGN-PC-0WACVH)
Synonyms:
MDL No:
Molecular Formula: C5H8OS
Molecular Weight: 116.1814

Identification/Properties


Computed Properties
Molecular Weight:
116.178g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
116.03g/mol
Monoisotopic Mass:
116.03g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
90.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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