CID 158094852

CH7K2O8S2 — CID 158094852

IUPAC—
SMILESC.O=S(=O)(O)O.O=S(=O)([O-])O.[K+].[K]
InChIInChI=1S/CH4.2K.2H2O4S/c;;;2*1-5(2,3)4/h1H4;;;2*(H2,1,2,3,4)/q;;+1;;/p-1
InChIKeyJHNBFKQYFUMZLG-UHFFFAOYSA-M
MW289.39 g/mol
LogP-4.39
Rot. Bonds

About CID 158094852

CID 158094852 (PubChem CID 158094852) has the molecular formula CH7K2O8S2 and a molecular weight of 289.39 g/mol.

Molecular Properties

Compound NameCID 158094852
PubChem CID158094852
Molecular FormulaCH7K2O8S2
Molecular Weight289.39 g/mol
Exact Mass288.89
IUPAC Name—
SMILESC.O=S(=O)(O)O.O=S(=O)([O-])O.[K+].[K]
InChIInChI=1S/CH4.2K.2H2O4S/c;;;2*1-5(2,3)4/h1H4;;;2*(H2,1,2,3,4)/q;;+1;;/p-1
InChIKeyJHNBFKQYFUMZLG-UHFFFAOYSA-M
XLogP-4.39
TPSA152.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-4.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158094852?
The IUPAC name of CID 158094852 (CID 158094852) is not available.
What is the SMILES notation for CID 158094852?
The canonical SMILES for CID 158094852 is C.O=S(=O)(O)O.O=S(=O)([O-])O.[K+].[K].
What is the InChIKey of CID 158094852?
The InChIKey is JHNBFKQYFUMZLG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4.2K.2H2O4S/c;;;2*1-5(2,3)4/h1H4;;;2*(H2,1,2,3,4)/q;;+1;;/p-1.
What are the key properties of CID 158094852?
CID 158094852 has a molecular weight of 289.39 g/mol, XLogP of -4.39, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158094852 is sourced from PubChem (CID 158094852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).