diphenyl(9H-thioxanthen-2-yl)sulfanium

C25H19S2+ — CID 150245404

IUPACdiphenyl(9H-thioxanthen-2-yl)sulfanium
SMILESc1ccc([S+](c2ccccc2)c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C25H19S2/c1-3-10-21(11-4-1)27(22-12-5-2-6-13-22)23-15-16-25-20(18-23)17-19-9-7-8-14-24(19)26-25/h1-16,18H,17H2/q+1
InChIKeyFYKDNESAMYWOOL-UHFFFAOYSA-N
MW383.56 g/mol
LogP6.84
Rot. Bonds3

About diphenyl(9H-thioxanthen-2-yl)sulfanium

diphenyl(9H-thioxanthen-2-yl)sulfanium (PubChem CID 150245404) has the molecular formula C25H19S2+ and a molecular weight of 383.56 g/mol. Its IUPAC name is diphenyl(9H-thioxanthen-2-yl)sulfanium.

Molecular Properties

Compound Namediphenyl(9H-thioxanthen-2-yl)sulfanium
PubChem CID150245404
Molecular FormulaC25H19S2+
Molecular Weight383.56 g/mol
Exact Mass383.09
IUPAC Namediphenyl(9H-thioxanthen-2-yl)sulfanium
SMILESc1ccc([S+](c2ccccc2)c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C25H19S2/c1-3-10-21(11-4-1)27(22-12-5-2-6-13-22)23-15-16-25-20(18-23)17-19-9-7-8-14-24(19)26-25/h1-16,18H,17H2/q+1
InChIKeyFYKDNESAMYWOOL-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl(9H-thioxanthen-2-yl)sulfanium?
The IUPAC name of diphenyl(9H-thioxanthen-2-yl)sulfanium (CID 150245404) is diphenyl(9H-thioxanthen-2-yl)sulfanium.
What is the SMILES notation for diphenyl(9H-thioxanthen-2-yl)sulfanium?
The canonical SMILES for diphenyl(9H-thioxanthen-2-yl)sulfanium is c1ccc([S+](c2ccccc2)c2ccc3c(c2)Cc2ccccc2S3)cc1.
What is the InChIKey of diphenyl(9H-thioxanthen-2-yl)sulfanium?
The InChIKey is FYKDNESAMYWOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19S2/c1-3-10-21(11-4-1)27(22-12-5-2-6-13-22)23-15-16-25-20(18-23)17-19-9-7-8-14-24(19)26-25/h1-16,18H,17H2/q+1.
What are the key properties of diphenyl(9H-thioxanthen-2-yl)sulfanium?
diphenyl(9H-thioxanthen-2-yl)sulfanium has a molecular weight of 383.56 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(9H-thioxanthen-2-yl)sulfanium is sourced from PubChem (CID 150245404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).