2-phenylsulfanylnaphthalene-1,4-dione

C16H10O2S — CID 622329

IUPAC2-phenylsulfanylnaphthalene-1,4-dione
SMILESO=C1C=C(Sc2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
InChIKeyYRZIOOUBKJSECZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.74
Rot. Bonds2

About 2-phenylsulfanylnaphthalene-1,4-dione

2-phenylsulfanylnaphthalene-1,4-dione (PubChem CID 622329) has the molecular formula C16H10O2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-phenylsulfanylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-phenylsulfanylnaphthalene-1,4-dione
PubChem CID622329
Molecular FormulaC16H10O2S
Molecular Weight266.32 g/mol
Exact Mass266.04
IUPAC Name2-phenylsulfanylnaphthalene-1,4-dione
SMILESO=C1C=C(Sc2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
InChIKeyYRZIOOUBKJSECZ-UHFFFAOYSA-N
XLogP3.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylnaphthalene-1,4-dione?
The IUPAC name of 2-phenylsulfanylnaphthalene-1,4-dione (CID 622329) is 2-phenylsulfanylnaphthalene-1,4-dione.
What is the SMILES notation for 2-phenylsulfanylnaphthalene-1,4-dione?
The canonical SMILES for 2-phenylsulfanylnaphthalene-1,4-dione is O=C1C=C(Sc2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 2-phenylsulfanylnaphthalene-1,4-dione?
The InChIKey is YRZIOOUBKJSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 2-phenylsulfanylnaphthalene-1,4-dione?
2-phenylsulfanylnaphthalene-1,4-dione has a molecular weight of 266.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylnaphthalene-1,4-dione is sourced from PubChem (CID 622329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).