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16841-60-4 | 2H-Thiopyran, 3,6-dihydro-, 1-oxide
CAS No: 16841-60-4 Catalog No: AG001Y27 MDL No:
Product Description
Catalog Number:
AG001Y27
Chemical Name:
2H-Thiopyran, 3,6-dihydro-, 1-oxide
CAS Number:
16841-60-4
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
IUPAC Name:
3,6-dihydro-2H-thiopyran 1-oxide
InChI:
InChI=1S/C5H8OS/c6-7-4-2-1-3-5-7/h1-2H,3-5H2
InChI Key:
YRQKMKZVLWCWPB-UHFFFAOYSA-N
SMILES:
O=S1CCC=CC1
Properties
Complexity:
107
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:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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