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19019-06-8 | 9H-Thioxanthene, 9,9-dimethyl-, 10-oxide
CAS No: 19019-06-8 Catalog No: AG002EEG MDL No:
Product Description
Catalog Number:
AG002EEG
Chemical Name:
9H-Thioxanthene, 9,9-dimethyl-, 10-oxide
CAS Number:
19019-06-8
Molecular Formula:
C15H14OS
Molecular Weight:
242.3361
IUPAC Name:
9,9-dimethylthioxanthene 10-oxide
InChI:
InChI=1S/C15H14OS/c1-15(2)11-7-3-5-9-13(11)17(16)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChI Key:
ZMSVFRRRHSDYNX-UHFFFAOYSA-N
SMILES:
O=S1c2ccccc2C(c2c1cccc2)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.336g/mol
Monoisotopic Mass:
242.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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