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890045-43-9 | 9H-Thioxanthen-9-one, 3-[4-(1,1-dimethylethyl)phenyl]-, 10,10-dioxide
CAS No: 890045-43-9 Catalog No: AG00469B MDL No:
Product Description
Catalog Number:
AG00469B
Chemical Name:
9H-Thioxanthen-9-one, 3-[4-(1,1-dimethylethyl)phenyl]-, 10,10-dioxide
CAS Number:
890045-43-9
Molecular Formula:
C23H20O3S
Molecular Weight:
376.4681
IUPAC Name:
3-(4-tert-butylphenyl)-10,10-dioxothioxanthen-9-one
InChI:
InChI=1S/C23H20O3S/c1-23(2,3)17-11-8-15(9-12-17)16-10-13-19-21(14-16)27(25,26)20-7-5-4-6-18(20)22(19)24/h4-14H,1-3H3
InChI Key:
MNTCISLXIUHITN-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(cc2S(=O)(=O)c2c1cccc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.113g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.47g/mol
Monoisotopic Mass:
376.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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