CID 131843239

H2Cs2O4S — CID 131843239

IUPAC—
SMILESO=S(=O)(O)O.[Cs].[Cs]
InChIInChI=1S/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)
InChIKeyDRLQIMKNWDQJMV-UHFFFAOYSA-N
MW363.89 g/mol
LogP-1.41
Rot. Bonds

About CID 131843239

CID 131843239 (PubChem CID 131843239) has the molecular formula H2Cs2O4S and a molecular weight of 363.89 g/mol.

Molecular Properties

Compound NameCID 131843239
PubChem CID131843239
Molecular FormulaH2Cs2O4S
Molecular Weight363.89 g/mol
Exact Mass363.78
IUPAC Name—
SMILESO=S(=O)(O)O.[Cs].[Cs]
InChIInChI=1S/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)
InChIKeyDRLQIMKNWDQJMV-UHFFFAOYSA-N
XLogP-1.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131843239?
The IUPAC name of CID 131843239 (CID 131843239) is not available.
What is the SMILES notation for CID 131843239?
The canonical SMILES for CID 131843239 is O=S(=O)(O)O.[Cs].[Cs].
What is the InChIKey of CID 131843239?
The InChIKey is DRLQIMKNWDQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4).
What are the key properties of CID 131843239?
CID 131843239 has a molecular weight of 363.89 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131843239 is sourced from PubChem (CID 131843239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).