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

C21H10ClFOS — CID 59502517

IUPAC10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2cc(F)ccc2sc2cc3cc4ccc(Cl)cc4cc3cc12
InChIInChI=1S/C21H10ClFOS/c22-15-2-1-11-5-14-9-20-17(8-13(14)6-12(11)7-15)21(24)18-10-16(23)3-4-19(18)25-20/h1-10H
InChIKeyUABNKEBWKNHOLU-UHFFFAOYSA-N
MW364.83 g/mol
LogP6.51
Rot. Bonds

About 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one

10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one (PubChem CID 59502517) has the molecular formula C21H10ClFOS and a molecular weight of 364.83 g/mol. Its IUPAC name is 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one.

Molecular Properties

Compound Name10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
PubChem CID59502517
Molecular FormulaC21H10ClFOS
Molecular Weight364.83 g/mol
Exact Mass364.01
IUPAC Name10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2cc(F)ccc2sc2cc3cc4ccc(Cl)cc4cc3cc12
InChIInChI=1S/C21H10ClFOS/c22-15-2-1-11-5-14-9-20-17(8-13(14)6-12(11)7-15)21(24)18-10-16(23)3-4-19(18)25-20/h1-10H
InChIKeyUABNKEBWKNHOLU-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'}

Analyze 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The IUPAC name of 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one (CID 59502517) is 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one.
What is the SMILES notation for 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The canonical SMILES for 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one is O=c1c2cc(F)ccc2sc2cc3cc4ccc(Cl)cc4cc3cc12.
What is the InChIKey of 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
The InChIKey is UABNKEBWKNHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10ClFOS/c22-15-2-1-11-5-14-9-20-17(8-13(14)6-12(11)7-15)21(24)18-10-16(23)3-4-19(18)25-20/h1-10H.
What are the key properties of 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one?
10-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 10-chloro-2-fluoronaphtho[2,3-b]thioxanthen-14-one is sourced from PubChem (CID 59502517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).