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16723-50-5 | 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1,1-dioxide
CAS No: 16723-50-5 Catalog No: AG001X85 MDL No:
Product Description
Catalog Number:
AG001X85
Chemical Name:
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-methyl-, 1,1-dioxide
CAS Number:
16723-50-5
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
3-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
InChI:
InChI=1S/C10H10O3S/c1-7-6-14(12,13)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChI Key:
RYBZBWQHLZSAGB-UHFFFAOYSA-N
SMILES:
CC1CS(=O)(=O)c2c(C1=O)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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