sodium sulfido benzenesulfonate

C6H5NaO3S2 — CID 58825267

IUPACsodium sulfido benzenesulfonate
SMILESO=S(=O)(O[S-])c1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S2.Na/c7-11(8,9-10)6-4-2-1-3-5-6;/h1-5,10H;/q;+1/p-1
InChIKeyIVIOIIPXPAGORD-UHFFFAOYSA-M
MW212.23 g/mol
LogP-2.14
Rot. Bonds2

About sodium sulfido benzenesulfonate

sodium sulfido benzenesulfonate (PubChem CID 58825267) has the molecular formula C6H5NaO3S2 and a molecular weight of 212.23 g/mol. Its IUPAC name is sodium sulfido benzenesulfonate.

Molecular Properties

Compound Namesodium sulfido benzenesulfonate
PubChem CID58825267
Molecular FormulaC6H5NaO3S2
Molecular Weight212.23 g/mol
Exact Mass211.96
IUPAC Namesodium sulfido benzenesulfonate
SMILESO=S(=O)(O[S-])c1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S2.Na/c7-11(8,9-10)6-4-2-1-3-5-6;/h1-5,10H;/q;+1/p-1
InChIKeyIVIOIIPXPAGORD-UHFFFAOYSA-M
XLogP-2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium sulfido benzenesulfonate?
The IUPAC name of sodium sulfido benzenesulfonate (CID 58825267) is sodium sulfido benzenesulfonate.
What is the SMILES notation for sodium sulfido benzenesulfonate?
The canonical SMILES for sodium sulfido benzenesulfonate is O=S(=O)(O[S-])c1ccccc1.[Na+].
What is the InChIKey of sodium sulfido benzenesulfonate?
The InChIKey is IVIOIIPXPAGORD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S2.Na/c7-11(8,9-10)6-4-2-1-3-5-6;/h1-5,10H;/q;+1/p-1.
What are the key properties of sodium sulfido benzenesulfonate?
sodium sulfido benzenesulfonate has a molecular weight of 212.23 g/mol, XLogP of -2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium sulfido benzenesulfonate is sourced from PubChem (CID 58825267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).