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100752-97-4 | 9H-Thioxanthen-9-one, diethyl-
CAS No: 100752-97-4 Catalog No: AG0002T3 MDL No:
Product Description
Catalog Number:
AG0002T3
Chemical Name:
9H-Thioxanthen-9-one, diethyl-
CAS Number:
100752-97-4
Molecular Formula:
C17H16OS
Molecular Weight:
268.3733
IUPAC Name:
1,2-diethylthioxanthen-9-one
InChI:
InChI=1S/C17H16OS/c1-3-11-9-10-15-16(12(11)4-2)17(18)13-7-5-6-8-14(13)19-15/h5-10H,3-4H2,1-2H3
InChI Key:
GJZFGDYLJLCGHT-UHFFFAOYSA-N
SMILES:
CCc1c(CC)ccc2c1c(=O)c1c(s2)cccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.374g/mol
Monoisotopic Mass:
268.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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