5-(2-chlorophenyl)-3-sulfanyloxolan-2-one

C10H9ClO2S — CID 135040364

IUPAC5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
SMILESO=C1OC(c2ccccc2Cl)CC1S
InChIInChI=1S/C10H9ClO2S/c11-7-4-2-1-3-6(7)8-5-9(14)10(12)13-8/h1-4,8-9,14H,5H2
InChIKeyAQCLWZOXABBZOV-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.63
Rot. Bonds1

About 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one

5-(2-chlorophenyl)-3-sulfanyloxolan-2-one (PubChem CID 135040364) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
PubChem CID135040364
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
SMILESO=C1OC(c2ccccc2Cl)CC1S
InChIInChI=1S/C10H9ClO2S/c11-7-4-2-1-3-6(7)8-5-9(14)10(12)13-8/h1-4,8-9,14H,5H2
InChIKeyAQCLWZOXABBZOV-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one (CID 135040364) is 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one is O=C1OC(c2ccccc2Cl)CC1S.
What is the InChIKey of 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one?
The InChIKey is AQCLWZOXABBZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S/c11-7-4-2-1-3-6(7)8-5-9(14)10(12)13-8/h1-4,8-9,14H,5H2.
What are the key properties of 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one?
5-(2-chlorophenyl)-3-sulfanyloxolan-2-one has a molecular weight of 228.70 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-sulfanyloxolan-2-one is sourced from PubChem (CID 135040364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).