4-fluorothioxanthen-9-one

C13H7FOS — CID 54319807

IUPAC4-fluorothioxanthen-9-one
SMILESO=c1c2ccccc2sc2c(F)cccc12
InChIInChI=1S/C13H7FOS/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H
InChIKeySQVARBRTBLLAES-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.55
Rot. Bonds

About 4-fluorothioxanthen-9-one

4-fluorothioxanthen-9-one (PubChem CID 54319807) has the molecular formula C13H7FOS and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-fluorothioxanthen-9-one.

Molecular Properties

Compound Name4-fluorothioxanthen-9-one
PubChem CID54319807
Molecular FormulaC13H7FOS
Molecular Weight230.26 g/mol
Exact Mass230.02
IUPAC Name4-fluorothioxanthen-9-one
SMILESO=c1c2ccccc2sc2c(F)cccc12
InChIInChI=1S/C13H7FOS/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H
InChIKeySQVARBRTBLLAES-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminothioxanthen-9-one
CID 14929523
9-oxothioxanthene-4-sulfinic acid
CID 66606857
9-oxothioxanthene-4-carbonitrile
CID 10657513
4-(dichloromethyl)thioxanthen-9-one
CID 68549229
3,4-dihydroxythioxanthen-9-one
CID 146302213
3,4-dimethylthioxanthen-9-one
CID 13113961
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
aniline;thioxanthen-9-one
CID 157172339
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
4-chloro-3-(4-chlorophenyl)sulfanylthioxanthen-9-one
CID 56952231
7-fluoro-9-oxothioxanthene-4-carboxylic acid
CID 22917224
S-(4-methylphenyl) 9-oxothioxanthene-4-carbothioate
CID 177065206

Frequently Asked Questions

What is the IUPAC name of 4-fluorothioxanthen-9-one?
The IUPAC name of 4-fluorothioxanthen-9-one (CID 54319807) is 4-fluorothioxanthen-9-one.
What is the SMILES notation for 4-fluorothioxanthen-9-one?
The canonical SMILES for 4-fluorothioxanthen-9-one is O=c1c2ccccc2sc2c(F)cccc12.
What is the InChIKey of 4-fluorothioxanthen-9-one?
The InChIKey is SQVARBRTBLLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FOS/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H.
What are the key properties of 4-fluorothioxanthen-9-one?
4-fluorothioxanthen-9-one has a molecular weight of 230.26 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorothioxanthen-9-one is sourced from PubChem (CID 54319807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).