2-fluorothioxanthen-9-one

C13H7FOS — CID 640628

IUPAC2-fluorothioxanthen-9-one
SMILESO=c1c2ccccc2sc2ccc(F)cc12
InChIInChI=1S/C13H7FOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKeyVVZWCWXLBDGDPJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.55
Rot. Bonds

About 2-fluorothioxanthen-9-one

2-fluorothioxanthen-9-one (PubChem CID 640628) has the molecular formula C13H7FOS and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-fluorothioxanthen-9-one.

Molecular Properties

Compound Name2-fluorothioxanthen-9-one
PubChem CID640628
Molecular FormulaC13H7FOS
Molecular Weight230.26 g/mol
Exact Mass230.02
IUPAC Name2-fluorothioxanthen-9-one
SMILESO=c1c2ccccc2sc2ccc(F)cc12
InChIInChI=1S/C13H7FOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKeyVVZWCWXLBDGDPJ-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

2-Isopropylthioxanthone
CID 79633
Thioxanthone
CID 10295
2,4-Diethylthioxanthone
CID 122825
2-Chlorothioxanthone
CID 618848
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
2-Phenyl-4H-1-benzothiopyran-4-one
CID 69914
Thioxanthen-9-one 10,10-dioxide
CID 220255
Benzenecarbothioic acid, S-phenyl ester
CID 97117
Thiochroman-4-one
CID 19048
4H-1-Benzothiopyran-4-one
CID 95225
4-Isopropylthioxanthone
CID 158403
Phenacyl phenyl sulfide
CID 85338

Frequently Asked Questions

What is the IUPAC name of 2-fluorothioxanthen-9-one?
The IUPAC name of 2-fluorothioxanthen-9-one (CID 640628) is 2-fluorothioxanthen-9-one.
What is the SMILES notation for 2-fluorothioxanthen-9-one?
The canonical SMILES for 2-fluorothioxanthen-9-one is O=c1c2ccccc2sc2ccc(F)cc12.
What is the InChIKey of 2-fluorothioxanthen-9-one?
The InChIKey is VVZWCWXLBDGDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H.
What are the key properties of 2-fluorothioxanthen-9-one?
2-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 2-fluorothioxanthen-9-one is sourced from PubChem (CID 640628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).