sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane

C12H9NaO3S2 — CID 70246895

IUPACsodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)Oc1ccc(-c2ccccc2)cc1.[Na+]
InChIInChI=1S/C12H10O3S2.Na/c13-17(14,16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,16);/q;+1/p-1
InChIKeyFWTBDNHEEULURY-UHFFFAOYSA-M
MW288.32 g/mol
LogP-0.47
Rot. Bonds3

About sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane

sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane (PubChem CID 70246895) has the molecular formula C12H9NaO3S2 and a molecular weight of 288.32 g/mol. Its IUPAC name is sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane
PubChem CID70246895
Molecular FormulaC12H9NaO3S2
Molecular Weight288.32 g/mol
Exact Mass287.99
IUPAC Namesodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane
SMILESO=S([O-])(=S)Oc1ccc(-c2ccccc2)cc1.[Na+]
InChIInChI=1S/C12H10O3S2.Na/c13-17(14,16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,16);/q;+1/p-1
InChIKeyFWTBDNHEEULURY-UHFFFAOYSA-M
XLogP-0.47
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane (CID 70246895) is sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane is O=S([O-])(=S)Oc1ccc(-c2ccccc2)cc1.[Na+].
What is the InChIKey of sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is FWTBDNHEEULURY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3S2.Na/c13-17(14,16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H,13,14,16);/q;+1/p-1.
What are the key properties of sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane?
sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 288.32 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(4-phenylphenoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 70246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).