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

C4H8Cl2O2S — CID 10109

IUPAC1-chloro-2-(2-chloroethylsulfonyl)ethane
SMILESO=S(=O)(CCCl)CCCl
InChIInChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyLUYAMNYBNTVQJG-UHFFFAOYSA-N
MW191.08 g/mol
LogP0.88
Rot. Bonds4

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

1-chloro-2-(2-chloroethylsulfonyl)ethane (PubChem CID 10109) has the molecular formula C4H8Cl2O2S and a molecular weight of 191.08 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethylsulfonyl)ethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethylsulfonyl)ethane
PubChem CID10109
Molecular FormulaC4H8Cl2O2S
Molecular Weight191.08 g/mol
Exact Mass189.96
IUPAC Name1-chloro-2-(2-chloroethylsulfonyl)ethane
SMILESO=S(=O)(CCCl)CCCl
InChIInChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2
InChIKeyLUYAMNYBNTVQJG-UHFFFAOYSA-N
XLogP0.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 50.88
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-2-(2-chloroethylsulfonyl)ethane?
The IUPAC name of 1-chloro-2-(2-chloroethylsulfonyl)ethane (CID 10109) is 1-chloro-2-(2-chloroethylsulfonyl)ethane.
What is the SMILES notation for 1-chloro-2-(2-chloroethylsulfonyl)ethane?
The canonical SMILES for 1-chloro-2-(2-chloroethylsulfonyl)ethane is O=S(=O)(CCCl)CCCl.
What is the InChIKey of 1-chloro-2-(2-chloroethylsulfonyl)ethane?
The InChIKey is LUYAMNYBNTVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2.
What are the key properties of 1-chloro-2-(2-chloroethylsulfonyl)ethane?
1-chloro-2-(2-chloroethylsulfonyl)ethane has a molecular weight of 191.08 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethylsulfonyl)ethane is sourced from PubChem (CID 10109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).