2-(4-methylphenyl)-5-phenylthiolane

C17H18S — CID 58161404

IUPAC2-(4-methylphenyl)-5-phenylthiolane
SMILESCc1ccc(C2CCC(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18S/c1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyYAUAMYZFXCMUGA-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.30
Rot. Bonds2

About 2-(4-methylphenyl)-5-phenylthiolane

2-(4-methylphenyl)-5-phenylthiolane (PubChem CID 58161404) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenylthiolane.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenylthiolane
PubChem CID58161404
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name2-(4-methylphenyl)-5-phenylthiolane
SMILESCc1ccc(C2CCC(c3ccccc3)S2)cc1
InChIInChI=1S/C17H18S/c1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyYAUAMYZFXCMUGA-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 ≤ 500254.40
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)-5-phenylthiolane?
The IUPAC name of 2-(4-methylphenyl)-5-phenylthiolane (CID 58161404) is 2-(4-methylphenyl)-5-phenylthiolane.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenylthiolane?
The canonical SMILES for 2-(4-methylphenyl)-5-phenylthiolane is Cc1ccc(C2CCC(c3ccccc3)S2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenylthiolane?
The InChIKey is YAUAMYZFXCMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenylthiolane?
2-(4-methylphenyl)-5-phenylthiolane has a molecular weight of 254.40 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)-5-phenylthiolane is sourced from PubChem (CID 58161404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).