CID 173180491

H3Na3O8S4 — CID 173180491

IUPAC—
SMILESO=S(O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[SH-]
InChIInChI=1S/3Na.H2O5S2.H2O3S.H2S/c;;;1-6(2)7(3,4)5;1-4(2)3;/h;;;(H,1,2)(H,3,4,5);(H2,1,2,3);1H2/q3*+1;;;/p-3
InChIKeyNMPIFQXDWGSXSP-UHFFFAOYSA-K
MW328.25 g/mol
LogP-11.25
Rot. Bonds1

About CID 173180491

CID 173180491 (PubChem CID 173180491) has the molecular formula H3Na3O8S4 and a molecular weight of 328.25 g/mol.

Molecular Properties

Compound NameCID 173180491
PubChem CID173180491
Molecular FormulaH3Na3O8S4
Molecular Weight328.25 g/mol
Exact Mass327.84
IUPAC Name—
SMILESO=S(O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[SH-]
InChIInChI=1S/3Na.H2O5S2.H2O3S.H2S/c;;;1-6(2)7(3,4)5;1-4(2)3;/h;;;(H,1,2)(H,3,4,5);(H2,1,2,3);1H2/q3*+1;;;/p-3
InChIKeyNMPIFQXDWGSXSP-UHFFFAOYSA-K
XLogP-11.25
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 5-11.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173180491?
The IUPAC name of CID 173180491 (CID 173180491) is not available.
What is the SMILES notation for CID 173180491?
The canonical SMILES for CID 173180491 is O=S(O)O.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[SH-].
What is the InChIKey of CID 173180491?
The InChIKey is NMPIFQXDWGSXSP-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H2O5S2.H2O3S.H2S/c;;;1-6(2)7(3,4)5;1-4(2)3;/h;;;(H,1,2)(H,3,4,5);(H2,1,2,3);1H2/q3*+1;;;/p-3.
What are the key properties of CID 173180491?
CID 173180491 has a molecular weight of 328.25 g/mol, XLogP of -11.25, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173180491 is sourced from PubChem (CID 173180491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).