8-phenylsulfanylnaphthalene-1-carbonitrile

C17H11NS — CID 2801938

IUPAC8-phenylsulfanylnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(Sc3ccccc3)c12
InChIInChI=1S/C17H11NS/c18-12-14-8-4-6-13-7-5-11-16(17(13)14)19-15-9-2-1-3-10-15/h1-11H
InChIKeyYCBSVOBZKHIOBU-UHFFFAOYSA-N
MW261.35 g/mol
LogP4.86
Rot. Bonds2

About 8-phenylsulfanylnaphthalene-1-carbonitrile

8-phenylsulfanylnaphthalene-1-carbonitrile (PubChem CID 2801938) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 8-phenylsulfanylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-phenylsulfanylnaphthalene-1-carbonitrile
PubChem CID2801938
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name8-phenylsulfanylnaphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(Sc3ccccc3)c12
InChIInChI=1S/C17H11NS/c18-12-14-8-4-6-13-7-5-11-16(17(13)14)19-15-9-2-1-3-10-15/h1-11H
InChIKeyYCBSVOBZKHIOBU-UHFFFAOYSA-N
XLogP4.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-phenylsulfanylnaphthalene-1-carbonitrile?
The IUPAC name of 8-phenylsulfanylnaphthalene-1-carbonitrile (CID 2801938) is 8-phenylsulfanylnaphthalene-1-carbonitrile.
What is the SMILES notation for 8-phenylsulfanylnaphthalene-1-carbonitrile?
The canonical SMILES for 8-phenylsulfanylnaphthalene-1-carbonitrile is N#Cc1cccc2cccc(Sc3ccccc3)c12.
What is the InChIKey of 8-phenylsulfanylnaphthalene-1-carbonitrile?
The InChIKey is YCBSVOBZKHIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c18-12-14-8-4-6-13-7-5-11-16(17(13)14)19-15-9-2-1-3-10-15/h1-11H.
What are the key properties of 8-phenylsulfanylnaphthalene-1-carbonitrile?
8-phenylsulfanylnaphthalene-1-carbonitrile has a molecular weight of 261.35 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylsulfanylnaphthalene-1-carbonitrile is sourced from PubChem (CID 2801938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).