zinc 5-methylsulfinyl-2-sulfanylphenol

C7H8O2S2Zn+2 — CID 22352050

IUPACzinc 5-methylsulfinyl-2-sulfanylphenol
SMILESCS(=O)c1ccc(S)c(O)c1.[Zn+2]
InChIInChI=1S/C7H8O2S2.Zn/c1-11(9)5-2-3-7(10)6(8)4-5;/h2-4,8,10H,1H3;/q;+2
InChIKeyDRITVWROTDOSEC-UHFFFAOYSA-N
MW253.66 g/mol
LogP1.42
Rot. Bonds1

About zinc 5-methylsulfinyl-2-sulfanylphenol

zinc 5-methylsulfinyl-2-sulfanylphenol (PubChem CID 22352050) has the molecular formula C7H8O2S2Zn+2 and a molecular weight of 253.66 g/mol. Its IUPAC name is zinc 5-methylsulfinyl-2-sulfanylphenol.

Molecular Properties

Compound Namezinc 5-methylsulfinyl-2-sulfanylphenol
PubChem CID22352050
Molecular FormulaC7H8O2S2Zn+2
Molecular Weight253.66 g/mol
Exact Mass251.92
IUPAC Namezinc 5-methylsulfinyl-2-sulfanylphenol
SMILESCS(=O)c1ccc(S)c(O)c1.[Zn+2]
InChIInChI=1S/C7H8O2S2.Zn/c1-11(9)5-2-3-7(10)6(8)4-5;/h2-4,8,10H,1H3;/q;+2
InChIKeyDRITVWROTDOSEC-UHFFFAOYSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc 5-methylsulfinyl-2-sulfanylphenol?
The IUPAC name of zinc 5-methylsulfinyl-2-sulfanylphenol (CID 22352050) is zinc 5-methylsulfinyl-2-sulfanylphenol.
What is the SMILES notation for zinc 5-methylsulfinyl-2-sulfanylphenol?
The canonical SMILES for zinc 5-methylsulfinyl-2-sulfanylphenol is CS(=O)c1ccc(S)c(O)c1.[Zn+2].
What is the InChIKey of zinc 5-methylsulfinyl-2-sulfanylphenol?
The InChIKey is DRITVWROTDOSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2.Zn/c1-11(9)5-2-3-7(10)6(8)4-5;/h2-4,8,10H,1H3;/q;+2.
What are the key properties of zinc 5-methylsulfinyl-2-sulfanylphenol?
zinc 5-methylsulfinyl-2-sulfanylphenol has a molecular weight of 253.66 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5-methylsulfinyl-2-sulfanylphenol is sourced from PubChem (CID 22352050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).