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88488-54-4 | 9H-Thioxanthen-9-one, 1,2-dimethyl-
CAS No: 88488-54-4 Catalog No: AG0049R6 MDL No:
Product Description
Catalog Number:
AG0049R6
Chemical Name:
9H-Thioxanthen-9-one, 1,2-dimethyl-
CAS Number:
88488-54-4
Molecular Formula:
C15H12OS
Molecular Weight:
240.3202
IUPAC Name:
1,2-dimethylthioxanthen-9-one
InChI:
InChI=1S/C15H12OS/c1-9-7-8-13-14(10(9)2)15(16)11-5-3-4-6-12(11)17-13/h3-8H,1-2H3
InChI Key:
UYEDESPZQLZMCL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C)c(=O)c1c(s2)cccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.32g/mol
Monoisotopic Mass:
240.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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