10-chloronaphtho[2,3-b]thioxanthen-14-one

C21H11ClOS — CID 59502506

IUPAC10-chloronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2ccccc2sc2cc3cc4ccc(Cl)cc4cc3cc12
InChIInChI=1S/C21H11ClOS/c22-16-6-5-12-7-15-11-20-18(10-14(15)8-13(12)9-16)21(23)17-3-1-2-4-19(17)24-20/h1-11H
InChIKeyHFRCHSBXPNLFIS-UHFFFAOYSA-N
MW346.84 g/mol
LogP6.37
Rot. Bonds

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

10-chloronaphtho[2,3-b]thioxanthen-14-one (PubChem CID 59502506) has the molecular formula C21H11ClOS and a molecular weight of 346.84 g/mol. Its IUPAC name is 10-chloronaphtho[2,3-b]thioxanthen-14-one.

Molecular Properties

Compound Name10-chloronaphtho[2,3-b]thioxanthen-14-one
PubChem CID59502506
Molecular FormulaC21H11ClOS
Molecular Weight346.84 g/mol
Exact Mass346.02
IUPAC Name10-chloronaphtho[2,3-b]thioxanthen-14-one
SMILESO=c1c2ccccc2sc2cc3cc4ccc(Cl)cc4cc3cc12
InChIInChI=1S/C21H11ClOS/c22-16-6-5-12-7-15-11-20-18(10-14(15)8-13(12)9-16)21(23)17-3-1-2-4-19(17)24-20/h1-11H
InChIKeyHFRCHSBXPNLFIS-UHFFFAOYSA-N
XLogP6.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.84
LogP ≤ 56.37
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 10-chloronaphtho[2,3-b]thioxanthen-14-one?
The IUPAC name of 10-chloronaphtho[2,3-b]thioxanthen-14-one (CID 59502506) is 10-chloronaphtho[2,3-b]thioxanthen-14-one.
What is the SMILES notation for 10-chloronaphtho[2,3-b]thioxanthen-14-one?
The canonical SMILES for 10-chloronaphtho[2,3-b]thioxanthen-14-one is O=c1c2ccccc2sc2cc3cc4ccc(Cl)cc4cc3cc12.
What is the InChIKey of 10-chloronaphtho[2,3-b]thioxanthen-14-one?
The InChIKey is HFRCHSBXPNLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClOS/c22-16-6-5-12-7-15-11-20-18(10-14(15)8-13(12)9-16)21(23)17-3-1-2-4-19(17)24-20/h1-11H.
What are the key properties of 10-chloronaphtho[2,3-b]thioxanthen-14-one?
10-chloronaphtho[2,3-b]thioxanthen-14-one has a molecular weight of 346.84 g/mol, XLogP of 6.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloronaphtho[2,3-b]thioxanthen-14-one is sourced from PubChem (CID 59502506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).