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116905-85-2 | 9H-Xanthene, 9-phenyl-9-(phenylthio)-
CAS No: 116905-85-2 Catalog No: AG000DDX MDL No:
Product Description
Catalog Number:
AG000DDX
Chemical Name:
9H-Xanthene, 9-phenyl-9-(phenylthio)-
CAS Number:
116905-85-2
Molecular Formula:
C25H18OS
Molecular Weight:
366.4748
IUPAC Name:
9-phenyl-9-phenylsulfanylxanthene
InChI:
InChI=1S/C25H18OS/c1-3-11-19(12-4-1)25(27-20-13-5-2-6-14-20)21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25/h1-18H
InChI Key:
QYAXPENNRGEQTO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SC1(c2ccccc2)c2ccccc2Oc2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.108g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.478g/mol
Monoisotopic Mass:
366.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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