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201862-95-5 | 9H-Thioxanthen-9-one, 1-(phenylthio)-4-propoxy-
CAS No: 201862-95-5 Catalog No: AG0027W9 MDL No:
Product Description
Catalog Number:
AG0027W9
Chemical Name:
9H-Thioxanthen-9-one, 1-(phenylthio)-4-propoxy-
CAS Number:
201862-95-5
Molecular Formula:
C22H18O2S2
Molecular Weight:
378.5071
IUPAC Name:
1-phenylsulfanyl-4-propoxythioxanthen-9-one
InChI:
InChI=1S/C22H18O2S2/c1-2-14-24-17-12-13-19(25-15-8-4-3-5-9-15)20-21(23)16-10-6-7-11-18(16)26-22(17)20/h3-13H,2,14H2,1H3
InChI Key:
SMQFKPPJHRROCT-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c2c1sc1ccccc1c2=O)Sc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.504g/mol
Monoisotopic Mass:
378.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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