2-(4-methylphenyl)sulfanyloxolane

C11H14OS — CID 10035534

IUPAC2-(4-methylphenyl)sulfanyloxolane
SMILESCc1ccc(SC2CCCO2)cc1
InChIInChI=1S/C11H14OS/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7,11H,2-3,8H2,1H3
InChIKeyJHUKLJFUQZIFOC-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyloxolane

2-(4-methylphenyl)sulfanyloxolane (PubChem CID 10035534) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyloxolane.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyloxolane
PubChem CID10035534
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(4-methylphenyl)sulfanyloxolane
SMILESCc1ccc(SC2CCCO2)cc1
InChIInChI=1S/C11H14OS/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7,11H,2-3,8H2,1H3
InChIKeyJHUKLJFUQZIFOC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyloxolane?
The IUPAC name of 2-(4-methylphenyl)sulfanyloxolane (CID 10035534) is 2-(4-methylphenyl)sulfanyloxolane.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyloxolane?
The canonical SMILES for 2-(4-methylphenyl)sulfanyloxolane is Cc1ccc(SC2CCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyloxolane?
The InChIKey is JHUKLJFUQZIFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-9-4-6-10(7-5-9)13-11-3-2-8-12-11/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyloxolane?
2-(4-methylphenyl)sulfanyloxolane has a molecular weight of 194.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyloxolane is sourced from PubChem (CID 10035534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).