dichloro sulfate

Cl2O4S — CID 18378143

IUPACdichloro sulfate
SMILESO=S(=O)(OCl)OCl
InChIInChI=1S/Cl2O4S/c1-5-7(3,4)6-2
InChIKeyHEVKUCJPGHYKQI-UHFFFAOYSA-N
MW166.97 g/mol
LogP0.57
Rot. Bonds2

About dichloro sulfate

dichloro sulfate (PubChem CID 18378143) has the molecular formula Cl2O4S and a molecular weight of 166.97 g/mol. Its IUPAC name is dichloro sulfate.

Molecular Properties

Compound Namedichloro sulfate
PubChem CID18378143
Molecular FormulaCl2O4S
Molecular Weight166.97 g/mol
Exact Mass165.89
IUPAC Namedichloro sulfate
SMILESO=S(=O)(OCl)OCl
InChIInChI=1S/Cl2O4S/c1-5-7(3,4)6-2
InChIKeyHEVKUCJPGHYKQI-UHFFFAOYSA-N
XLogP0.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dichloro sulfate?
The IUPAC name of dichloro sulfate (CID 18378143) is dichloro sulfate.
What is the SMILES notation for dichloro sulfate?
The canonical SMILES for dichloro sulfate is O=S(=O)(OCl)OCl.
What is the InChIKey of dichloro sulfate?
The InChIKey is HEVKUCJPGHYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2O4S/c1-5-7(3,4)6-2.
What are the key properties of dichloro sulfate?
dichloro sulfate has a molecular weight of 166.97 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro sulfate is sourced from PubChem (CID 18378143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).