9-phenyl-9H-thioxanthene

C19H14S — CID 10061919

IUPAC9-phenyl-9H-thioxanthene
SMILESc1ccc(C2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C19H14S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyHIWIIHPKFGJZSX-UHFFFAOYSA-N
MW274.39 g/mol
LogP5.33
Rot. Bonds1

About 9-phenyl-9H-thioxanthene

9-phenyl-9H-thioxanthene (PubChem CID 10061919) has the molecular formula C19H14S and a molecular weight of 274.39 g/mol. Its IUPAC name is 9-phenyl-9H-thioxanthene.

Molecular Properties

Compound Name9-phenyl-9H-thioxanthene
PubChem CID10061919
Molecular FormulaC19H14S
Molecular Weight274.39 g/mol
Exact Mass274.08
IUPAC Name9-phenyl-9H-thioxanthene
SMILESc1ccc(C2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C19H14S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyHIWIIHPKFGJZSX-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thioxanthene
CID 67495
1-Methyl-2-tritylsulfanylbenzene
CID 408597
9H-thioxanthene 10-oxide
CID 5324695
Thioflavin
CID 22251
1-(Phenylthio)naphthalene
CID 291319
4-Biphenylyl phenyl sulfide
CID 4387159
Bithioxanthene
CID 225988
(4-Cyclohexylphenyl)diphenylsulfonium
CID 21863739
Thiochroman
CID 137415
9H-Thioxanthene, 9,9-dimethyl-
CID 140463
(Z)-9-allylidene-2-(trifluoromethyl)-9H-thioxanthene
CID 71577550
Benzhydrylsulfanylbenzene
CID 225271

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9H-thioxanthene?
The IUPAC name of 9-phenyl-9H-thioxanthene (CID 10061919) is 9-phenyl-9H-thioxanthene.
What is the SMILES notation for 9-phenyl-9H-thioxanthene?
The canonical SMILES for 9-phenyl-9H-thioxanthene is c1ccc(C2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 9-phenyl-9H-thioxanthene?
The InChIKey is HIWIIHPKFGJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H.
What are the key properties of 9-phenyl-9H-thioxanthene?
9-phenyl-9H-thioxanthene has a molecular weight of 274.39 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9H-thioxanthene is sourced from PubChem (CID 10061919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).