2-chloro-3-(4-methylphenyl)sulfanyloxolane

C11H13ClOS — CID 14224835

IUPAC2-chloro-3-(4-methylphenyl)sulfanyloxolane
SMILESCc1ccc(SC2CCOC2Cl)cc1
InChIInChI=1S/C11H13ClOS/c1-8-2-4-9(5-3-8)14-10-6-7-13-11(10)12/h2-5,10-11H,6-7H2,1H3
InChIKeyRZENJYIJAIFOEF-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.44
Rot. Bonds2

About 2-chloro-3-(4-methylphenyl)sulfanyloxolane

2-chloro-3-(4-methylphenyl)sulfanyloxolane (PubChem CID 14224835) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-chloro-3-(4-methylphenyl)sulfanyloxolane.

Molecular Properties

Compound Name2-chloro-3-(4-methylphenyl)sulfanyloxolane
PubChem CID14224835
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name2-chloro-3-(4-methylphenyl)sulfanyloxolane
SMILESCc1ccc(SC2CCOC2Cl)cc1
InChIInChI=1S/C11H13ClOS/c1-8-2-4-9(5-3-8)14-10-6-7-13-11(10)12/h2-5,10-11H,6-7H2,1H3
InChIKeyRZENJYIJAIFOEF-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methylphenyl)sulfanyloxolane?
The IUPAC name of 2-chloro-3-(4-methylphenyl)sulfanyloxolane (CID 14224835) is 2-chloro-3-(4-methylphenyl)sulfanyloxolane.
What is the SMILES notation for 2-chloro-3-(4-methylphenyl)sulfanyloxolane?
The canonical SMILES for 2-chloro-3-(4-methylphenyl)sulfanyloxolane is Cc1ccc(SC2CCOC2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-methylphenyl)sulfanyloxolane?
The InChIKey is RZENJYIJAIFOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-8-2-4-9(5-3-8)14-10-6-7-13-11(10)12/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 2-chloro-3-(4-methylphenyl)sulfanyloxolane?
2-chloro-3-(4-methylphenyl)sulfanyloxolane has a molecular weight of 228.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methylphenyl)sulfanyloxolane is sourced from PubChem (CID 14224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).