2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate

C12H14Cl2O3S2 — CID 57200637

IUPAC2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCSSCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3S2/c1-2-18-19-6-5-16-12(15)8-17-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyXGGDXAAJRDNFSL-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.32
Rot. Bonds8

About 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate

2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 57200637) has the molecular formula C12H14Cl2O3S2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID57200637
Molecular FormulaC12H14Cl2O3S2
Molecular Weight341.28 g/mol
Exact Mass339.98
IUPAC Name2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCSSCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2O3S2/c1-2-18-19-6-5-16-12(15)8-17-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyXGGDXAAJRDNFSL-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
2-[cyano(methyl)amino]ethyl 2-(2,4-dichlorophenoxy)acetate
CID 110191882
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate (CID 57200637) is 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate is CCSSCCOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is XGGDXAAJRDNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3S2/c1-2-18-19-6-5-16-12(15)8-17-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate?
2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 341.28 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)ethyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 57200637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).