1-naphthalen-1-ylsulfinylnaphthalene

C20H14OS — CID 14001577

IUPAC1-naphthalen-1-ylsulfinylnaphthalene
SMILESO=S(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C20H14OS/c21-22(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyMHOFMHKGDRWUIM-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.16
Rot. Bonds2

About 1-naphthalen-1-ylsulfinylnaphthalene

1-naphthalen-1-ylsulfinylnaphthalene (PubChem CID 14001577) has the molecular formula C20H14OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfinylnaphthalene.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfinylnaphthalene
PubChem CID14001577
Molecular FormulaC20H14OS
Molecular Weight302.40 g/mol
Exact Mass302.08
IUPAC Name1-naphthalen-1-ylsulfinylnaphthalene
SMILESO=S(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C20H14OS/c21-22(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyMHOFMHKGDRWUIM-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfinylnaphthalene?
The IUPAC name of 1-naphthalen-1-ylsulfinylnaphthalene (CID 14001577) is 1-naphthalen-1-ylsulfinylnaphthalene.
What is the SMILES notation for 1-naphthalen-1-ylsulfinylnaphthalene?
The canonical SMILES for 1-naphthalen-1-ylsulfinylnaphthalene is O=S(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylsulfinylnaphthalene?
The InChIKey is MHOFMHKGDRWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14OS/c21-22(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 1-naphthalen-1-ylsulfinylnaphthalene?
1-naphthalen-1-ylsulfinylnaphthalene has a molecular weight of 302.40 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfinylnaphthalene is sourced from PubChem (CID 14001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).