1-chloroethane-1,2-disulfonyl chloride

C2H3Cl3O4S2 — CID 87546755

IUPAC1-chloroethane-1,2-disulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)S(=O)(=O)Cl
InChIInChI=1S/C2H3Cl3O4S2/c3-2(11(5,8)9)1-10(4,6)7/h2H,1H2
InChIKeyXWHCZJXHKJQMDJ-UHFFFAOYSA-N
MW261.54 g/mol
LogP0.69
Rot. Bonds3

About 1-chloroethane-1,2-disulfonyl chloride

1-chloroethane-1,2-disulfonyl chloride (PubChem CID 87546755) has the molecular formula C2H3Cl3O4S2 and a molecular weight of 261.54 g/mol. Its IUPAC name is 1-chloroethane-1,2-disulfonyl chloride.

Molecular Properties

Compound Name1-chloroethane-1,2-disulfonyl chloride
PubChem CID87546755
Molecular FormulaC2H3Cl3O4S2
Molecular Weight261.54 g/mol
Exact Mass259.85
IUPAC Name1-chloroethane-1,2-disulfonyl chloride
SMILESO=S(=O)(Cl)CC(Cl)S(=O)(=O)Cl
InChIInChI=1S/C2H3Cl3O4S2/c3-2(11(5,8)9)1-10(4,6)7/h2H,1H2
InChIKeyXWHCZJXHKJQMDJ-UHFFFAOYSA-N
XLogP0.69
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.54
LogP ≤ 50.69
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-chloroethane-1,2-disulfonyl chloride?
The IUPAC name of 1-chloroethane-1,2-disulfonyl chloride (CID 87546755) is 1-chloroethane-1,2-disulfonyl chloride.
What is the SMILES notation for 1-chloroethane-1,2-disulfonyl chloride?
The canonical SMILES for 1-chloroethane-1,2-disulfonyl chloride is O=S(=O)(Cl)CC(Cl)S(=O)(=O)Cl.
What is the InChIKey of 1-chloroethane-1,2-disulfonyl chloride?
The InChIKey is XWHCZJXHKJQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O4S2/c3-2(11(5,8)9)1-10(4,6)7/h2H,1H2.
What are the key properties of 1-chloroethane-1,2-disulfonyl chloride?
1-chloroethane-1,2-disulfonyl chloride has a molecular weight of 261.54 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethane-1,2-disulfonyl chloride is sourced from PubChem (CID 87546755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).