1-chloro-1-(2-chloroethylsulfonyl)ethane

C4H8Cl2O2S — CID 118209400

IUPAC1-chloro-1-(2-chloroethylsulfonyl)ethane
SMILESCC(Cl)S(=O)(=O)CCCl
InChIInChI=1S/C4H8Cl2O2S/c1-4(6)9(7,8)3-2-5/h4H,2-3H2,1H3
InChIKeyYWKDJNDMCMVANY-UHFFFAOYSA-N
MW191.08 g/mol
LogP1.22
Rot. Bonds3

About 1-chloro-1-(2-chloroethylsulfonyl)ethane

1-chloro-1-(2-chloroethylsulfonyl)ethane (PubChem CID 118209400) has the molecular formula C4H8Cl2O2S and a molecular weight of 191.08 g/mol. Its IUPAC name is 1-chloro-1-(2-chloroethylsulfonyl)ethane.

Molecular Properties

Compound Name1-chloro-1-(2-chloroethylsulfonyl)ethane
PubChem CID118209400
Molecular FormulaC4H8Cl2O2S
Molecular Weight191.08 g/mol
Exact Mass189.96
IUPAC Name1-chloro-1-(2-chloroethylsulfonyl)ethane
SMILESCC(Cl)S(=O)(=O)CCCl
InChIInChI=1S/C4H8Cl2O2S/c1-4(6)9(7,8)3-2-5/h4H,2-3H2,1H3
InChIKeyYWKDJNDMCMVANY-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-(2-chloroethylsulfonyl)ethane?
The IUPAC name of 1-chloro-1-(2-chloroethylsulfonyl)ethane (CID 118209400) is 1-chloro-1-(2-chloroethylsulfonyl)ethane.
What is the SMILES notation for 1-chloro-1-(2-chloroethylsulfonyl)ethane?
The canonical SMILES for 1-chloro-1-(2-chloroethylsulfonyl)ethane is CC(Cl)S(=O)(=O)CCCl.
What is the InChIKey of 1-chloro-1-(2-chloroethylsulfonyl)ethane?
The InChIKey is YWKDJNDMCMVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2S/c1-4(6)9(7,8)3-2-5/h4H,2-3H2,1H3.
What are the key properties of 1-chloro-1-(2-chloroethylsulfonyl)ethane?
1-chloro-1-(2-chloroethylsulfonyl)ethane has a molecular weight of 191.08 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chloroethylsulfonyl)ethane is sourced from PubChem (CID 118209400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).