2-(2-phenylsulfanylethyl)naphthalene

C18H16S — CID 69311418

IUPAC2-(2-phenylsulfanylethyl)naphthalene
SMILESc1ccc(SCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2
InChIKeyGRRWQYZINOUSHW-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.17
Rot. Bonds4

About 2-(2-phenylsulfanylethyl)naphthalene

2-(2-phenylsulfanylethyl)naphthalene (PubChem CID 69311418) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)naphthalene.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)naphthalene
PubChem CID69311418
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name2-(2-phenylsulfanylethyl)naphthalene
SMILESc1ccc(SCCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H16S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2
InChIKeyGRRWQYZINOUSHW-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)naphthalene?
The IUPAC name of 2-(2-phenylsulfanylethyl)naphthalene (CID 69311418) is 2-(2-phenylsulfanylethyl)naphthalene.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)naphthalene?
The canonical SMILES for 2-(2-phenylsulfanylethyl)naphthalene is c1ccc(SCCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)naphthalene?
The InChIKey is GRRWQYZINOUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-11,14H,12-13H2.
What are the key properties of 2-(2-phenylsulfanylethyl)naphthalene?
2-(2-phenylsulfanylethyl)naphthalene has a molecular weight of 264.39 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)naphthalene is sourced from PubChem (CID 69311418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).