2-(4-methylphenyl)sulfanylnaphthalene

C17H14S — CID 619539

IUPAC2-(4-methylphenyl)sulfanylnaphthalene
SMILESCc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14S/c1-13-6-9-16(10-7-13)18-17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
InChIKeyJVFGHVOTSLJSLT-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.30
Rot. Bonds2

About 2-(4-methylphenyl)sulfanylnaphthalene

2-(4-methylphenyl)sulfanylnaphthalene (PubChem CID 619539) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylnaphthalene.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylnaphthalene
PubChem CID619539
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name2-(4-methylphenyl)sulfanylnaphthalene
SMILESCc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14S/c1-13-6-9-16(10-7-13)18-17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3
InChIKeyJVFGHVOTSLJSLT-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylnaphthalene?
The IUPAC name of 2-(4-methylphenyl)sulfanylnaphthalene (CID 619539) is 2-(4-methylphenyl)sulfanylnaphthalene.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylnaphthalene?
The canonical SMILES for 2-(4-methylphenyl)sulfanylnaphthalene is Cc1ccc(Sc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylnaphthalene?
The InChIKey is JVFGHVOTSLJSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S/c1-13-6-9-16(10-7-13)18-17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanylnaphthalene?
2-(4-methylphenyl)sulfanylnaphthalene has a molecular weight of 250.37 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylnaphthalene is sourced from PubChem (CID 619539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).