11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one

C21H10ClFOS — CID 59502536

IUPAC11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2cc(F)ccc2sc2cc3cc4cccc(Cl)c4cc3cc12
InChIInChI=1S/C21H10ClFOS/c22-18-3-1-2-11-6-12-9-20-16(8-13(12)7-15(11)18)21(24)17-10-14(23)4-5-19(17)25-20/h1-10H
InChIKeyNOGZCAVMLVAWEG-UHFFFAOYSA-N
MW364.83 g/mol
LogP6.51
Rot. Bonds

About 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one

11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one (PubChem CID 59502536) has the molecular formula C21H10ClFOS and a molecular weight of 364.83 g/mol. Its IUPAC name is 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one.

Molecular Properties

Compound Name11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
PubChem CID59502536
Molecular FormulaC21H10ClFOS
Molecular Weight364.83 g/mol
Exact Mass364.01
IUPAC Name11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2cc(F)ccc2sc2cc3cc4cccc(Cl)c4cc3cc12
InChIInChI=1S/C21H10ClFOS/c22-18-3-1-2-11-6-12-9-20-16(8-13(12)7-15(11)18)21(24)17-10-14(23)4-5-19(17)25-20/h1-10H
InChIKeyNOGZCAVMLVAWEG-UHFFFAOYSA-N
XLogP6.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 56.51
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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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The IUPAC name of 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one (CID 59502536) is 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one.
What is the SMILES notation for 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The canonical SMILES for 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one is O=c1c2cc(F)ccc2sc2cc3cc4cccc(Cl)c4cc3cc12.
What is the InChIKey of 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The InChIKey is NOGZCAVMLVAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10ClFOS/c22-18-3-1-2-11-6-12-9-20-16(8-13(12)7-15(11)18)21(24)17-10-14(23)4-5-19(17)25-20/h1-10H.
What are the key properties of 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one has a molecular weight of 364.83 g/mol, XLogP of 6.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one is sourced from PubChem (CID 59502536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).