2-(3-chlorophenyl)sulfanyloxolane

C10H11ClOS — CID 131089658

IUPAC2-(3-chlorophenyl)sulfanyloxolane
SMILESClc1cccc(SC2CCCO2)c1
InChIInChI=1S/C10H11ClOS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2
InChIKeyJIEIIOLULIFSMN-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.57
Rot. Bonds2

About 2-(3-chlorophenyl)sulfanyloxolane

2-(3-chlorophenyl)sulfanyloxolane (PubChem CID 131089658) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyloxolane.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyloxolane
PubChem CID131089658
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name2-(3-chlorophenyl)sulfanyloxolane
SMILESClc1cccc(SC2CCCO2)c1
InChIInChI=1S/C10H11ClOS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2
InChIKeyJIEIIOLULIFSMN-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyloxolane?
The IUPAC name of 2-(3-chlorophenyl)sulfanyloxolane (CID 131089658) is 2-(3-chlorophenyl)sulfanyloxolane.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyloxolane?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyloxolane is Clc1cccc(SC2CCCO2)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyloxolane?
The InChIKey is JIEIIOLULIFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 2-(3-chlorophenyl)sulfanyloxolane?
2-(3-chlorophenyl)sulfanyloxolane has a molecular weight of 214.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyloxolane is sourced from PubChem (CID 131089658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).