1-(2-chloroethoxy)-2-ethenylsulfanylethane

C6H11ClOS — CID 55298542

IUPAC1-(2-chloroethoxy)-2-ethenylsulfanylethane
SMILESC=CSCCOCCCl
InChIInChI=1S/C6H11ClOS/c1-2-9-6-5-8-4-3-7/h2H,1,3-6H2
InChIKeyMFDGEFVTVIQDRT-UHFFFAOYSA-N
MW166.67 g/mol
LogP2.12
Rot. Bonds6

About 1-(2-chloroethoxy)-2-ethenylsulfanylethane

1-(2-chloroethoxy)-2-ethenylsulfanylethane (PubChem CID 55298542) has the molecular formula C6H11ClOS and a molecular weight of 166.67 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-2-ethenylsulfanylethane.

Molecular Properties

Compound Name1-(2-chloroethoxy)-2-ethenylsulfanylethane
PubChem CID55298542
Molecular FormulaC6H11ClOS
Molecular Weight166.67 g/mol
Exact Mass166.02
IUPAC Name1-(2-chloroethoxy)-2-ethenylsulfanylethane
SMILESC=CSCCOCCCl
InChIInChI=1S/C6H11ClOS/c1-2-9-6-5-8-4-3-7/h2H,1,3-6H2
InChIKeyMFDGEFVTVIQDRT-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylsulfanylethane?
The IUPAC name of 1-(2-chloroethoxy)-2-ethenylsulfanylethane (CID 55298542) is 1-(2-chloroethoxy)-2-ethenylsulfanylethane.
What is the SMILES notation for 1-(2-chloroethoxy)-2-ethenylsulfanylethane?
The canonical SMILES for 1-(2-chloroethoxy)-2-ethenylsulfanylethane is C=CSCCOCCCl.
What is the InChIKey of 1-(2-chloroethoxy)-2-ethenylsulfanylethane?
The InChIKey is MFDGEFVTVIQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClOS/c1-2-9-6-5-8-4-3-7/h2H,1,3-6H2.
What are the key properties of 1-(2-chloroethoxy)-2-ethenylsulfanylethane?
1-(2-chloroethoxy)-2-ethenylsulfanylethane has a molecular weight of 166.67 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-2-ethenylsulfanylethane is sourced from PubChem (CID 55298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).