2-(4-chlorophenyl)sulfanyl-1,4-dioxane

C10H11ClO2S — CID 122225040

IUPAC2-(4-chlorophenyl)sulfanyl-1,4-dioxane
SMILESClc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C10H11ClO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeySWFHCLHGOJYHCA-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.81
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-1,4-dioxane

2-(4-chlorophenyl)sulfanyl-1,4-dioxane (PubChem CID 122225040) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,4-dioxane.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,4-dioxane
PubChem CID122225040
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,4-dioxane
SMILESClc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C10H11ClO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2
InChIKeySWFHCLHGOJYHCA-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(p-Chlorophenylthio)ethanol
CID 83487
Methyl 2-(4-chlorophenylthio)acetate
CID 246210
8-(4-Chloro-phenylsulfanylmethyl)-8-methyl-6,7,10 trioxa-spiro[4.5]decane
CID 11580482
4-(p-Chlorophenylthio)butanol
CID 27288
Methyl 3-(4-chlorophenylthio)propionate
CID 3627064
Ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate
CID 10399790
1-Chloro-4-[(2-propenyl)thio]benzene
CID 271496
2-(4-Chlorophenyl)sulfonyloxirane
CID 73347392
2-(4-Chlorophenyl)sulfanylethyl acetate
CID 303081
1-Chloro-4-(cyclohexylsulfanyl)benzene
CID 237176
1-(p-Chlorophenylthio)-2-propanol
CID 139536
3,3-Dibutyl-6-[(4-chlorophenyl)sulfanylmethyl]-6-methyl-1,2,4-trioxane
CID 71598075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,4-dioxane?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,4-dioxane (CID 122225040) is 2-(4-chlorophenyl)sulfanyl-1,4-dioxane.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,4-dioxane?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,4-dioxane is Clc1ccc(SC2COCCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,4-dioxane?
The InChIKey is SWFHCLHGOJYHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-4,10H,5-7H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,4-dioxane?
2-(4-chlorophenyl)sulfanyl-1,4-dioxane has a molecular weight of 230.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,4-dioxane is sourced from PubChem (CID 122225040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).