1-naphthalen-1-ylsulfanylnaphthalene

C20H14S — CID 625448

IUPAC1-naphthalen-1-ylsulfanylnaphthalene
SMILESc1ccc2c(Sc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14S/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyQLAWAFBTLLCIIM-UHFFFAOYSA-N
MW286.40 g/mol
LogP6.14
Rot. Bonds2

About 1-naphthalen-1-ylsulfanylnaphthalene

1-naphthalen-1-ylsulfanylnaphthalene (PubChem CID 625448) has the molecular formula C20H14S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfanylnaphthalene.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfanylnaphthalene
PubChem CID625448
Molecular FormulaC20H14S
Molecular Weight286.40 g/mol
Exact Mass286.08
IUPAC Name1-naphthalen-1-ylsulfanylnaphthalene
SMILESc1ccc2c(Sc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14S/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyQLAWAFBTLLCIIM-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfanylnaphthalene?
The IUPAC name of 1-naphthalen-1-ylsulfanylnaphthalene (CID 625448) is 1-naphthalen-1-ylsulfanylnaphthalene.
What is the SMILES notation for 1-naphthalen-1-ylsulfanylnaphthalene?
The canonical SMILES for 1-naphthalen-1-ylsulfanylnaphthalene is c1ccc2c(Sc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylsulfanylnaphthalene?
The InChIKey is QLAWAFBTLLCIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 1-naphthalen-1-ylsulfanylnaphthalene?
1-naphthalen-1-ylsulfanylnaphthalene has a molecular weight of 286.40 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfanylnaphthalene is sourced from PubChem (CID 625448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).