1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane

C8H16Cl2O2S — CID 12616437

IUPAC1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane
SMILESClCCOCCSCCOCCCl
InChIInChI=1S/C8H16Cl2O2S/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
InChIKeyRVAOLZWUBCOJPJ-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.23
Rot. Bonds10

About 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane

1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane (PubChem CID 12616437) has the molecular formula C8H16Cl2O2S and a molecular weight of 247.19 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane
PubChem CID12616437
Molecular FormulaC8H16Cl2O2S
Molecular Weight247.19 g/mol
Exact Mass246.02
IUPAC Name1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane
SMILESClCCOCCSCCOCCCl
InChIInChI=1S/C8H16Cl2O2S/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
InChIKeyRVAOLZWUBCOJPJ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane?
The IUPAC name of 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane (CID 12616437) is 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane.
What is the SMILES notation for 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane?
The canonical SMILES for 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane is ClCCOCCSCCOCCCl.
What is the InChIKey of 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane?
The InChIKey is RVAOLZWUBCOJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2S/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2.
What are the key properties of 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane?
1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane has a molecular weight of 247.19 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethylsulfanyl]ethane is sourced from PubChem (CID 12616437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).