CID 131856458

CH4K2O6S2 — CID 131856458

IUPAC—
SMILESO=S(=O)(O)CS(=O)(=O)O.[K].[K]
InChIInChI=1S/CH4O6S2.2K/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;
InChIKeyKMMDYMXRRJICJN-UHFFFAOYSA-N
MW254.37 g/mol
LogP-2.04
Rot. Bonds2

About CID 131856458

CID 131856458 (PubChem CID 131856458) has the molecular formula CH4K2O6S2 and a molecular weight of 254.37 g/mol.

Molecular Properties

Compound NameCID 131856458
PubChem CID131856458
Molecular FormulaCH4K2O6S2
Molecular Weight254.37 g/mol
Exact Mass253.87
IUPAC Name—
SMILESO=S(=O)(O)CS(=O)(=O)O.[K].[K]
InChIInChI=1S/CH4O6S2.2K/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;
InChIKeyKMMDYMXRRJICJN-UHFFFAOYSA-N
XLogP-2.04
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;sodium;hydride;methanedisulfonic acid
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lithium;difluoroborinate;methanedisulfonic acid
CID 175553813
methane;methanedisulfonic acid;methanedisulfonyl chloride;hydrate
CID 160572260
CID 173015098
CID 173015098
sulfomethylsulfonylformic acid
CID 90953311
octane-1,8-disulfonic acid
CID 18172926
hydroxymethanesulfonic acid
CID 6411
hydroxymethanesulfonic acid
CID 162227916
phosphanyloxysulfonylmethanesulfonic acid
CID 122479772
ethanesulfonic acid;formic acid
CID 87503053

Frequently Asked Questions

What is the IUPAC name of CID 131856458?
The IUPAC name of CID 131856458 (CID 131856458) is not available.
What is the SMILES notation for CID 131856458?
The canonical SMILES for CID 131856458 is O=S(=O)(O)CS(=O)(=O)O.[K].[K].
What is the InChIKey of CID 131856458?
The InChIKey is KMMDYMXRRJICJN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O6S2.2K/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;.
What are the key properties of CID 131856458?
CID 131856458 has a molecular weight of 254.37 g/mol, XLogP of -2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131856458 is sourced from PubChem (CID 131856458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).