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890045-46-2 | 9H-Thioxanthen-9-one, 3-[4-(dimethylamino)phenyl]-, 10,10-dioxide
CAS No: 890045-46-2 Catalog No: AG004625 MDL No:
Product Description
Catalog Number:
AG004625
Chemical Name:
9H-Thioxanthen-9-one, 3-[4-(dimethylamino)phenyl]-, 10,10-dioxide
CAS Number:
890045-46-2
Molecular Formula:
C21H17NO3S
Molecular Weight:
363.4296
IUPAC Name:
3-[4-(dimethylamino)phenyl]-10,10-dioxothioxanthen-9-one
InChI:
InChI=1S/C21H17NO3S/c1-22(2)16-10-7-14(8-11-16)15-9-12-18-20(13-15)26(24,25)19-6-4-3-5-17(19)21(18)23/h3-13H,1-2H3
InChI Key:
YRQHEUPVLPWSTR-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1ccc2c(c1)S(=O)(=O)c1c(C2=O)cccc1)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.431g/mol
Monoisotopic Mass:
363.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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