1,2-bis(chloromethylsulfonyl)ethene

C4H6Cl2O4S2 — CID 71375061

IUPAC1,2-bis(chloromethylsulfonyl)ethene
SMILESO=S(=O)(C=CS(=O)(=O)CCl)CCl
InChIInChI=1S/C4H6Cl2O4S2/c5-3-11(7,8)1-2-12(9,10)4-6/h1-2H,3-4H2
InChIKeyPCHQOVFLFHTLTI-UHFFFAOYSA-N
MW253.13 g/mol
LogP0.68
Rot. Bonds4

About 1,2-bis(chloromethylsulfonyl)ethene

1,2-bis(chloromethylsulfonyl)ethene (PubChem CID 71375061) has the molecular formula C4H6Cl2O4S2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 1,2-bis(chloromethylsulfonyl)ethene.

Molecular Properties

Compound Name1,2-bis(chloromethylsulfonyl)ethene
PubChem CID71375061
Molecular FormulaC4H6Cl2O4S2
Molecular Weight253.13 g/mol
Exact Mass251.91
IUPAC Name1,2-bis(chloromethylsulfonyl)ethene
SMILESO=S(=O)(C=CS(=O)(=O)CCl)CCl
InChIInChI=1S/C4H6Cl2O4S2/c5-3-11(7,8)1-2-12(9,10)4-6/h1-2H,3-4H2
InChIKeyPCHQOVFLFHTLTI-UHFFFAOYSA-N
XLogP0.68
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 50.68
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(chloromethylsulfonyl)ethene?
The IUPAC name of 1,2-bis(chloromethylsulfonyl)ethene (CID 71375061) is 1,2-bis(chloromethylsulfonyl)ethene.
What is the SMILES notation for 1,2-bis(chloromethylsulfonyl)ethene?
The canonical SMILES for 1,2-bis(chloromethylsulfonyl)ethene is O=S(=O)(C=CS(=O)(=O)CCl)CCl.
What is the InChIKey of 1,2-bis(chloromethylsulfonyl)ethene?
The InChIKey is PCHQOVFLFHTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O4S2/c5-3-11(7,8)1-2-12(9,10)4-6/h1-2H,3-4H2.
What are the key properties of 1,2-bis(chloromethylsulfonyl)ethene?
1,2-bis(chloromethylsulfonyl)ethene has a molecular weight of 253.13 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(chloromethylsulfonyl)ethene is sourced from PubChem (CID 71375061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).