bis(chlorosulfonyl) sulfate

Cl2O8S3 — CID 101282780

IUPACbis(chlorosulfonyl) sulfate
SMILESO=S(=O)(Cl)OS(=O)(=O)OS(=O)(=O)Cl
InChIInChI=1S/Cl2O8S3/c1-11(3,4)9-13(7,8)10-12(2,5)6
InChIKeyQRCGDDSWWPZGAR-UHFFFAOYSA-N
MW295.10 g/mol
LogP-0.77
Rot. Bonds4

About bis(chlorosulfonyl) sulfate

bis(chlorosulfonyl) sulfate (PubChem CID 101282780) has the molecular formula Cl2O8S3 and a molecular weight of 295.10 g/mol. Its IUPAC name is bis(chlorosulfonyl) sulfate.

Molecular Properties

Compound Namebis(chlorosulfonyl) sulfate
PubChem CID101282780
Molecular FormulaCl2O8S3
Molecular Weight295.10 g/mol
Exact Mass293.81
IUPAC Namebis(chlorosulfonyl) sulfate
SMILESO=S(=O)(Cl)OS(=O)(=O)OS(=O)(=O)Cl
InChIInChI=1S/Cl2O8S3/c1-11(3,4)9-13(7,8)10-12(2,5)6
InChIKeyQRCGDDSWWPZGAR-UHFFFAOYSA-N
XLogP-0.77
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(chlorosulfonyl) sulfate?
The IUPAC name of bis(chlorosulfonyl) sulfate (CID 101282780) is bis(chlorosulfonyl) sulfate.
What is the SMILES notation for bis(chlorosulfonyl) sulfate?
The canonical SMILES for bis(chlorosulfonyl) sulfate is O=S(=O)(Cl)OS(=O)(=O)OS(=O)(=O)Cl.
What is the InChIKey of bis(chlorosulfonyl) sulfate?
The InChIKey is QRCGDDSWWPZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2O8S3/c1-11(3,4)9-13(7,8)10-12(2,5)6.
What are the key properties of bis(chlorosulfonyl) sulfate?
bis(chlorosulfonyl) sulfate has a molecular weight of 295.10 g/mol, XLogP of -0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chlorosulfonyl) sulfate is sourced from PubChem (CID 101282780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).