sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane

C6H5NaO2S2 — CID 4192832

IUPACsodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)c1ccccc1.[Na+]
InChIInChI=1S/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyBZHOWMPPNDKQSQ-UHFFFAOYSA-M
MW196.23 g/mol
LogP-2.07
Rot. Bonds1

About sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane

sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane (PubChem CID 4192832) has the molecular formula C6H5NaO2S2 and a molecular weight of 196.23 g/mol. Its IUPAC name is sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
PubChem CID4192832
Molecular FormulaC6H5NaO2S2
Molecular Weight196.23 g/mol
Exact Mass195.96
IUPAC Namesodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)c1ccccc1.[Na+]
InChIInChI=1S/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKeyBZHOWMPPNDKQSQ-UHFFFAOYSA-M
XLogP-2.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane (CID 4192832) is sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane is O=S([O-])(=S)c1ccccc1.[Na+].
What is the InChIKey of sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane?
The InChIKey is BZHOWMPPNDKQSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane?
sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane has a molecular weight of 196.23 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 4192832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).