CID 23328831

H2Cl2NO4S2- — CID 23328831

IUPAC—
SMILESNS(=O)[O-].O=S(=O)(Cl)Cl
InChIInChI=1S/Cl2O2S.H3NO2S/c1-5(2,3)4;1-4(2)3/h;1H2,(H,2,3)/p-1
InChIKeyAWSXMJUJIAQGGY-UHFFFAOYSA-M
MW215.06 g/mol
LogP-0.55
Rot. Bonds

About CID 23328831

CID 23328831 (PubChem CID 23328831) has the molecular formula H2Cl2NO4S2- and a molecular weight of 215.06 g/mol.

Molecular Properties

Compound NameCID 23328831
PubChem CID23328831
Molecular FormulaH2Cl2NO4S2-
Molecular Weight215.06 g/mol
Exact Mass213.88
IUPAC Name—
SMILESNS(=O)[O-].O=S(=O)(Cl)Cl
InChIInChI=1S/Cl2O2S.H3NO2S/c1-5(2,3)4;1-4(2)3/h;1H2,(H,2,3)/p-1
InChIKeyAWSXMJUJIAQGGY-UHFFFAOYSA-M
XLogP-0.55
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 CID 23328831?
The IUPAC name of CID 23328831 (CID 23328831) is not available.
What is the SMILES notation for CID 23328831?
The canonical SMILES for CID 23328831 is NS(=O)[O-].O=S(=O)(Cl)Cl.
What is the InChIKey of CID 23328831?
The InChIKey is AWSXMJUJIAQGGY-UHFFFAOYSA-M. The full InChI is InChI=1S/Cl2O2S.H3NO2S/c1-5(2,3)4;1-4(2)3/h;1H2,(H,2,3)/p-1.
What are the key properties of CID 23328831?
CID 23328831 has a molecular weight of 215.06 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23328831 is sourced from PubChem (CID 23328831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).