2-(2-methylsulfanylethyl)-3-phenylnaphthalene

C19H18S — CID 91136874

IUPAC2-(2-methylsulfanylethyl)-3-phenylnaphthalene
SMILESCSCCc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C19H18S/c1-20-12-11-18-13-16-9-5-6-10-17(16)14-19(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3
InChIKeyHXCXXQATSQMENE-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.41
Rot. Bonds4

About 2-(2-methylsulfanylethyl)-3-phenylnaphthalene

2-(2-methylsulfanylethyl)-3-phenylnaphthalene (PubChem CID 91136874) has the molecular formula C19H18S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-3-phenylnaphthalene.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-3-phenylnaphthalene
PubChem CID91136874
Molecular FormulaC19H18S
Molecular Weight278.42 g/mol
Exact Mass278.11
IUPAC Name2-(2-methylsulfanylethyl)-3-phenylnaphthalene
SMILESCSCCc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C19H18S/c1-20-12-11-18-13-16-9-5-6-10-17(16)14-19(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3
InChIKeyHXCXXQATSQMENE-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Naphthacene
CID 7080
5-Methylchrysene
CID 19427
2,6-Diisopropylnaphthalene
CID 32241
9,10-Dimethylanthracene
CID 13076
1-Methylphenanthrene
CID 13257

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-3-phenylnaphthalene?
The IUPAC name of 2-(2-methylsulfanylethyl)-3-phenylnaphthalene (CID 91136874) is 2-(2-methylsulfanylethyl)-3-phenylnaphthalene.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-3-phenylnaphthalene?
The canonical SMILES for 2-(2-methylsulfanylethyl)-3-phenylnaphthalene is CSCCc1cc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-3-phenylnaphthalene?
The InChIKey is HXCXXQATSQMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18S/c1-20-12-11-18-13-16-9-5-6-10-17(16)14-19(18)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-3-phenylnaphthalene?
2-(2-methylsulfanylethyl)-3-phenylnaphthalene has a molecular weight of 278.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-3-phenylnaphthalene is sourced from PubChem (CID 91136874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).