CID 174910696

H3O6S2- — CID 174910696

IUPAC—
SMILESO.O=S([O-])S(=O)(=O)O
InChIInChI=1S/H2O5S2.H2O/c1-6(2)7(3,4)5;/h(H,1,2)(H,3,4,5);1H2/p-1
InChIKeyBTNDHUGJGUCMBH-UHFFFAOYSA-M
MW163.15 g/mol
LogP-2.16
Rot. Bonds1

About CID 174910696

CID 174910696 (PubChem CID 174910696) has the molecular formula H3O6S2- and a molecular weight of 163.15 g/mol.

Molecular Properties

Compound NameCID 174910696
PubChem CID174910696
Molecular FormulaH3O6S2-
Molecular Weight163.15 g/mol
Exact Mass162.94
IUPAC Name—
SMILESO.O=S([O-])S(=O)(=O)O
InChIInChI=1S/H2O5S2.H2O/c1-6(2)7(3,4)5;/h(H,1,2)(H,3,4,5);1H2/p-1
InChIKeyBTNDHUGJGUCMBH-UHFFFAOYSA-M
XLogP-2.16
TPSA126.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174910696?
The IUPAC name of CID 174910696 (CID 174910696) is not available.
What is the SMILES notation for CID 174910696?
The canonical SMILES for CID 174910696 is O.O=S([O-])S(=O)(=O)O.
What is the InChIKey of CID 174910696?
The InChIKey is BTNDHUGJGUCMBH-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O5S2.H2O/c1-6(2)7(3,4)5;/h(H,1,2)(H,3,4,5);1H2/p-1.
What are the key properties of CID 174910696?
CID 174910696 has a molecular weight of 163.15 g/mol, XLogP of -2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174910696 is sourced from PubChem (CID 174910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).