10-(3-fluorophenyl)thioxanthen-10-ium-9-one

C19H12FOS+ — CID 148765413

IUPAC10-(3-fluorophenyl)thioxanthen-10-ium-9-one
SMILESO=c1c2ccccc2[s+](-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H12FOS/c20-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19(21)16-9-2-4-11-18(16)22/h1-12H/q+1
InChIKeyOHJBTRFAEBFCSM-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.23
Rot. Bonds1

About 10-(3-fluorophenyl)thioxanthen-10-ium-9-one

10-(3-fluorophenyl)thioxanthen-10-ium-9-one (PubChem CID 148765413) has the molecular formula C19H12FOS+ and a molecular weight of 307.37 g/mol. Its IUPAC name is 10-(3-fluorophenyl)thioxanthen-10-ium-9-one.

Molecular Properties

Compound Name10-(3-fluorophenyl)thioxanthen-10-ium-9-one
PubChem CID148765413
Molecular FormulaC19H12FOS+
Molecular Weight307.37 g/mol
Exact Mass307.06
IUPAC Name10-(3-fluorophenyl)thioxanthen-10-ium-9-one
SMILESO=c1c2ccccc2[s+](-c2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H12FOS/c20-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19(21)16-9-2-4-11-18(16)22/h1-12H/q+1
InChIKeyOHJBTRFAEBFCSM-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluorophenyl)dibenzothiophen-5-ium
CID 140660901
1-[5-(3-fluorophenyl)dibenzothiophen-5-ium-2-yl]ethanone
CID 171589548
pentafluoro-λ5-stibane;10-(4-phenylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one;fluoride
CID 160801632
5-naphthalen-2-yldibenzothiophen-5-ium
CID 59594107
10-(4-dodecylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one;pentafluoro-λ5-stibane;fluoride
CID 159501382
1,3-difluorobenzene;formic acid
CID 158586074
acetaldehyde;1,3-difluorobenzene
CID 160854263
5-[4-[(3,5-difluorophenyl)methoxy]phenyl]dibenzothiophen-5-ium
CID 166037462
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
methyl 2-[7-[2-(2-methoxy-2-oxoethoxy)-9-oxothioxanthen-10-ium-10-yl]-9-oxothioxanthen-2-yl]oxyacetate
CID 171830964

Frequently Asked Questions

What is the IUPAC name of 10-(3-fluorophenyl)thioxanthen-10-ium-9-one?
The IUPAC name of 10-(3-fluorophenyl)thioxanthen-10-ium-9-one (CID 148765413) is 10-(3-fluorophenyl)thioxanthen-10-ium-9-one.
What is the SMILES notation for 10-(3-fluorophenyl)thioxanthen-10-ium-9-one?
The canonical SMILES for 10-(3-fluorophenyl)thioxanthen-10-ium-9-one is O=c1c2ccccc2[s+](-c2cccc(F)c2)c2ccccc12.
What is the InChIKey of 10-(3-fluorophenyl)thioxanthen-10-ium-9-one?
The InChIKey is OHJBTRFAEBFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FOS/c20-13-6-5-7-14(12-13)22-17-10-3-1-8-15(17)19(21)16-9-2-4-11-18(16)22/h1-12H/q+1.
What are the key properties of 10-(3-fluorophenyl)thioxanthen-10-ium-9-one?
10-(3-fluorophenyl)thioxanthen-10-ium-9-one has a molecular weight of 307.37 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluorophenyl)thioxanthen-10-ium-9-one is sourced from PubChem (CID 148765413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).