CID 21392413

ClO4S2- — CID 21392413

IUPAC—
SMILESO=S([O-])S(=O)(=O)Cl
InChIInChI=1S/ClHO4S2/c1-7(4,5)6(2)3/h(H,2,3)/p-1
InChIKeyNXBMQYWNOYZLHF-UHFFFAOYSA-M
MW163.58 g/mol
LogP-0.65
Rot. Bonds1

About CID 21392413

CID 21392413 (PubChem CID 21392413) has the molecular formula ClO4S2- and a molecular weight of 163.58 g/mol.

Molecular Properties

Compound NameCID 21392413
PubChem CID21392413
Molecular FormulaClO4S2-
Molecular Weight163.58 g/mol
Exact Mass162.89
IUPAC Name—
SMILESO=S([O-])S(=O)(=O)Cl
InChIInChI=1S/ClHO4S2/c1-7(4,5)6(2)3/h(H,2,3)/p-1
InChIKeyNXBMQYWNOYZLHF-UHFFFAOYSA-M
XLogP-0.65
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.58
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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chlorosulfonyl sulfite
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CID 59919457
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CID 172999665
CID 172999665
dioxido-oxo-sulfanylidene-λ6-sulfane;gold;sulfite
CID 174156089
calcium;sulfur trioxide;sulfate
CID 158621545

Frequently Asked Questions

What is the IUPAC name of CID 21392413?
The IUPAC name of CID 21392413 (CID 21392413) is not available.
What is the SMILES notation for CID 21392413?
The canonical SMILES for CID 21392413 is O=S([O-])S(=O)(=O)Cl.
What is the InChIKey of CID 21392413?
The InChIKey is NXBMQYWNOYZLHF-UHFFFAOYSA-M. The full InChI is InChI=1S/ClHO4S2/c1-7(4,5)6(2)3/h(H,2,3)/p-1.
What are the key properties of CID 21392413?
CID 21392413 has a molecular weight of 163.58 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21392413 is sourced from PubChem (CID 21392413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).