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19090-03-0 | 2H-Thiopyran-3(4H)-one, dihydro-
CAS No: 19090-03-0 Catalog No: AG002EWY MDL No:MFCD00040796
Product Description
Catalog Number:
AG002EWY
Chemical Name:
2H-Thiopyran-3(4H)-one, dihydro-
CAS Number:
19090-03-0
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD00040796
IUPAC Name:
thian-3-one
InChI:
InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H2
InChI Key:
ATAMXDLUUTYFKT-UHFFFAOYSA-N
SMILES:
O=C1CCCSC1
Properties
Complexity:
80.1
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:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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