9-phenylsulfanyl-9H-xanthene

C19H14OS — CID 730871

IUPAC9-phenylsulfanyl-9H-xanthene
SMILESc1ccc(SC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14OS/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyFXPCOKDMVKVJNJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.67
Rot. Bonds2

About 9-phenylsulfanyl-9H-xanthene

9-phenylsulfanyl-9H-xanthene (PubChem CID 730871) has the molecular formula C19H14OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 9-phenylsulfanyl-9H-xanthene.

Molecular Properties

Compound Name9-phenylsulfanyl-9H-xanthene
PubChem CID730871
Molecular FormulaC19H14OS
Molecular Weight290.39 g/mol
Exact Mass290.08
IUPAC Name9-phenylsulfanyl-9H-xanthene
SMILESc1ccc(SC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H14OS/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H
InChIKeyFXPCOKDMVKVJNJ-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenylsulfanyl-9H-xanthene?
The IUPAC name of 9-phenylsulfanyl-9H-xanthene (CID 730871) is 9-phenylsulfanyl-9H-xanthene.
What is the SMILES notation for 9-phenylsulfanyl-9H-xanthene?
The canonical SMILES for 9-phenylsulfanyl-9H-xanthene is c1ccc(SC2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-phenylsulfanyl-9H-xanthene?
The InChIKey is FXPCOKDMVKVJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13,19H.
What are the key properties of 9-phenylsulfanyl-9H-xanthene?
9-phenylsulfanyl-9H-xanthene has a molecular weight of 290.39 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylsulfanyl-9H-xanthene is sourced from PubChem (CID 730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).