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890045-44-0 | 9H-Thioxanthen-9-one, 3-[4-(methylthio)phenyl]-, 10,10-dioxide
CAS No: 890045-44-0 Catalog No: AG0044WC MDL No:
Product Description
Catalog Number:
AG0044WC
Chemical Name:
9H-Thioxanthen-9-one, 3-[4-(methylthio)phenyl]-, 10,10-dioxide
CAS Number:
890045-44-0
Molecular Formula:
C20H14O3S2
Molecular Weight:
366.4534
IUPAC Name:
3-(4-methylsulfanylphenyl)-10,10-dioxothioxanthen-9-one
InChI:
InChI=1S/C20H14O3S2/c1-24-15-9-6-13(7-10-15)14-8-11-17-19(12-14)25(22,23)18-5-3-2-4-16(18)20(17)21/h2-12H,1H3
InChI Key:
IKFZQRKGNVRVOH-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.038g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.449g/mol
Monoisotopic Mass:
366.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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