2,5-dioxohexane-1,6-disulfonyl chloride

C6H8Cl2O6S2 — CID 22357099

IUPAC2,5-dioxohexane-1,6-disulfonyl chloride
SMILESO=C(CCC(=O)CS(=O)(=O)Cl)CS(=O)(=O)Cl
InChIInChI=1S/C6H8Cl2O6S2/c7-15(11,12)3-5(9)1-2-6(10)4-16(8,13)14/h1-4H2
InChIKeyXGBHHSCPYZMWRL-UHFFFAOYSA-N
MW311.16 g/mol
LogP0.04
Rot. Bonds7

About 2,5-dioxohexane-1,6-disulfonyl chloride

2,5-dioxohexane-1,6-disulfonyl chloride (PubChem CID 22357099) has the molecular formula C6H8Cl2O6S2 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2,5-dioxohexane-1,6-disulfonyl chloride.

Molecular Properties

Compound Name2,5-dioxohexane-1,6-disulfonyl chloride
PubChem CID22357099
Molecular FormulaC6H8Cl2O6S2
Molecular Weight311.16 g/mol
Exact Mass309.91
IUPAC Name2,5-dioxohexane-1,6-disulfonyl chloride
SMILESO=C(CCC(=O)CS(=O)(=O)Cl)CS(=O)(=O)Cl
InChIInChI=1S/C6H8Cl2O6S2/c7-15(11,12)3-5(9)1-2-6(10)4-16(8,13)14/h1-4H2
InChIKeyXGBHHSCPYZMWRL-UHFFFAOYSA-N
XLogP0.04
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxohexane-1,6-disulfonyl chloride?
The IUPAC name of 2,5-dioxohexane-1,6-disulfonyl chloride (CID 22357099) is 2,5-dioxohexane-1,6-disulfonyl chloride.
What is the SMILES notation for 2,5-dioxohexane-1,6-disulfonyl chloride?
The canonical SMILES for 2,5-dioxohexane-1,6-disulfonyl chloride is O=C(CCC(=O)CS(=O)(=O)Cl)CS(=O)(=O)Cl.
What is the InChIKey of 2,5-dioxohexane-1,6-disulfonyl chloride?
The InChIKey is XGBHHSCPYZMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O6S2/c7-15(11,12)3-5(9)1-2-6(10)4-16(8,13)14/h1-4H2.
What are the key properties of 2,5-dioxohexane-1,6-disulfonyl chloride?
2,5-dioxohexane-1,6-disulfonyl chloride has a molecular weight of 311.16 g/mol, XLogP of 0.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxohexane-1,6-disulfonyl chloride is sourced from PubChem (CID 22357099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).