1,2-bis(2-chloroethylsulfonyl)ethane

C6H12Cl2O4S2 — CID 19847

IUPAC1,2-bis(2-chloroethylsulfonyl)ethane
SMILESO=S(=O)(CCCl)CCS(=O)(=O)CCCl
InChIInChI=1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2
InChIKeyFQMRVYDYXSOKHL-UHFFFAOYSA-N
MW283.20 g/mol
LogP0.29
Rot. Bonds7

About 1,2-bis(2-chloroethylsulfonyl)ethane

1,2-bis(2-chloroethylsulfonyl)ethane (PubChem CID 19847) has the molecular formula C6H12Cl2O4S2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1,2-bis(2-chloroethylsulfonyl)ethane.

Molecular Properties

Compound Name1,2-bis(2-chloroethylsulfonyl)ethane
PubChem CID19847
Molecular FormulaC6H12Cl2O4S2
Molecular Weight283.20 g/mol
Exact Mass281.96
IUPAC Name1,2-bis(2-chloroethylsulfonyl)ethane
SMILESO=S(=O)(CCCl)CCS(=O)(=O)CCCl
InChIInChI=1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2
InChIKeyFQMRVYDYXSOKHL-UHFFFAOYSA-N
XLogP0.29
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2-bis(2-chloroethylsulfonyl)ethane?
The IUPAC name of 1,2-bis(2-chloroethylsulfonyl)ethane (CID 19847) is 1,2-bis(2-chloroethylsulfonyl)ethane.
What is the SMILES notation for 1,2-bis(2-chloroethylsulfonyl)ethane?
The canonical SMILES for 1,2-bis(2-chloroethylsulfonyl)ethane is O=S(=O)(CCCl)CCS(=O)(=O)CCCl.
What is the InChIKey of 1,2-bis(2-chloroethylsulfonyl)ethane?
The InChIKey is FQMRVYDYXSOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O4S2/c7-1-3-13(9,10)5-6-14(11,12)4-2-8/h1-6H2.
What are the key properties of 1,2-bis(2-chloroethylsulfonyl)ethane?
1,2-bis(2-chloroethylsulfonyl)ethane has a molecular weight of 283.20 g/mol, XLogP of 0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloroethylsulfonyl)ethane is sourced from PubChem (CID 19847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).