3-phenyl-3-(3-phenylpropyl)thiolane

C19H22S — CID 70366014

IUPAC3-phenyl-3-(3-phenylpropyl)thiolane
SMILESc1ccc(CCCC2(c3ccccc3)CCSC2)cc1
InChIInChI=1S/C19H22S/c1-3-8-17(9-4-1)10-7-13-19(14-15-20-16-19)18-11-5-2-6-12-18/h1-6,8-9,11-12H,7,10,13-16H2
InChIKeyPEUUEBDRHPITIW-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.08
Rot. Bonds5

About 3-phenyl-3-(3-phenylpropyl)thiolane

3-phenyl-3-(3-phenylpropyl)thiolane (PubChem CID 70366014) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-phenyl-3-(3-phenylpropyl)thiolane.

Molecular Properties

Compound Name3-phenyl-3-(3-phenylpropyl)thiolane
PubChem CID70366014
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Name3-phenyl-3-(3-phenylpropyl)thiolane
SMILESc1ccc(CCCC2(c3ccccc3)CCSC2)cc1
InChIInChI=1S/C19H22S/c1-3-8-17(9-4-1)10-7-13-19(14-15-20-16-19)18-11-5-2-6-12-18/h1-6,8-9,11-12H,7,10,13-16H2
InChIKeyPEUUEBDRHPITIW-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(3-phenylpropyl)thiolane?
The IUPAC name of 3-phenyl-3-(3-phenylpropyl)thiolane (CID 70366014) is 3-phenyl-3-(3-phenylpropyl)thiolane.
What is the SMILES notation for 3-phenyl-3-(3-phenylpropyl)thiolane?
The canonical SMILES for 3-phenyl-3-(3-phenylpropyl)thiolane is c1ccc(CCCC2(c3ccccc3)CCSC2)cc1.
What is the InChIKey of 3-phenyl-3-(3-phenylpropyl)thiolane?
The InChIKey is PEUUEBDRHPITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22S/c1-3-8-17(9-4-1)10-7-13-19(14-15-20-16-19)18-11-5-2-6-12-18/h1-6,8-9,11-12H,7,10,13-16H2.
What are the key properties of 3-phenyl-3-(3-phenylpropyl)thiolane?
3-phenyl-3-(3-phenylpropyl)thiolane has a molecular weight of 282.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(3-phenylpropyl)thiolane is sourced from PubChem (CID 70366014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).