chlorosulfonyl sulfite

ClO5S2- — CID 174502663

IUPACchlorosulfonyl sulfite
SMILESO=S([O-])OS(=O)(=O)Cl
InChIInChI=1S/ClHO5S2/c1-8(4,5)6-7(2)3/h(H,2,3)/p-1
InChIKeySIJWEHKIMXAFDQ-UHFFFAOYSA-M
MW179.58 g/mol
LogP-0.72
Rot. Bonds2

About chlorosulfonyl sulfite

chlorosulfonyl sulfite (PubChem CID 174502663) has the molecular formula ClO5S2- and a molecular weight of 179.58 g/mol. Its IUPAC name is chlorosulfonyl sulfite.

Molecular Properties

Compound Namechlorosulfonyl sulfite
PubChem CID174502663
Molecular FormulaClO5S2-
Molecular Weight179.58 g/mol
Exact Mass178.89
IUPAC Namechlorosulfonyl sulfite
SMILESO=S([O-])OS(=O)(=O)Cl
InChIInChI=1S/ClHO5S2/c1-8(4,5)6-7(2)3/h(H,2,3)/p-1
InChIKeySIJWEHKIMXAFDQ-UHFFFAOYSA-M
XLogP-0.72
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.58
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl sulfite?
The IUPAC name of chlorosulfonyl sulfite (CID 174502663) is chlorosulfonyl sulfite.
What is the SMILES notation for chlorosulfonyl sulfite?
The canonical SMILES for chlorosulfonyl sulfite is O=S([O-])OS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonyl sulfite?
The InChIKey is SIJWEHKIMXAFDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/ClHO5S2/c1-8(4,5)6-7(2)3/h(H,2,3)/p-1.
What are the key properties of chlorosulfonyl sulfite?
chlorosulfonyl sulfite has a molecular weight of 179.58 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl sulfite is sourced from PubChem (CID 174502663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).