1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane

C8H16Cl2O3S — CID 134927824

IUPAC1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane
SMILESCCOC(Cl)CS(=O)CC(Cl)OCC
InChIInChI=1S/C8H16Cl2O3S/c1-3-12-7(9)5-14(11)6-8(10)13-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYGKVOGCXTDUSLH-UHFFFAOYSA-N
MW263.19 g/mol
LogP1.94
Rot. Bonds8

About 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane

1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane (PubChem CID 134927824) has the molecular formula C8H16Cl2O3S and a molecular weight of 263.19 g/mol. Its IUPAC name is 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane
PubChem CID134927824
Molecular FormulaC8H16Cl2O3S
Molecular Weight263.19 g/mol
Exact Mass262.02
IUPAC Name1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane
SMILESCCOC(Cl)CS(=O)CC(Cl)OCC
InChIInChI=1S/C8H16Cl2O3S/c1-3-12-7(9)5-14(11)6-8(10)13-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYGKVOGCXTDUSLH-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane?
The IUPAC name of 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane (CID 134927824) is 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane.
What is the SMILES notation for 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane?
The canonical SMILES for 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane is CCOC(Cl)CS(=O)CC(Cl)OCC.
What is the InChIKey of 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane?
The InChIKey is YGKVOGCXTDUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O3S/c1-3-12-7(9)5-14(11)6-8(10)13-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane?
1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane has a molecular weight of 263.19 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloro-2-ethoxyethyl)sulfinyl-1-ethoxyethane is sourced from PubChem (CID 134927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).