2,6-diiodo-4-sulfanylphenol

C6H4I2OS — CID 131073490

IUPAC2,6-diiodo-4-sulfanylphenol
SMILESOc1c(I)cc(S)cc1I
InChIInChI=1S/C6H4I2OS/c7-4-1-3(10)2-5(8)6(4)9/h1-2,9-10H
InChIKeyNNYBQIZRNIGWOP-UHFFFAOYSA-N
MW377.97 g/mol
LogP2.89
Rot. Bonds

About 2,6-diiodo-4-sulfanylphenol

2,6-diiodo-4-sulfanylphenol (PubChem CID 131073490) has the molecular formula C6H4I2OS and a molecular weight of 377.97 g/mol. Its IUPAC name is 2,6-diiodo-4-sulfanylphenol.

Molecular Properties

Compound Name2,6-diiodo-4-sulfanylphenol
PubChem CID131073490
Molecular FormulaC6H4I2OS
Molecular Weight377.97 g/mol
Exact Mass377.81
IUPAC Name2,6-diiodo-4-sulfanylphenol
SMILESOc1c(I)cc(S)cc1I
InChIInChI=1S/C6H4I2OS/c7-4-1-3(10)2-5(8)6(4)9/h1-2,9-10H
InChIKeyNNYBQIZRNIGWOP-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.97
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-sulfanylphenol?
The IUPAC name of 2,6-diiodo-4-sulfanylphenol (CID 131073490) is 2,6-diiodo-4-sulfanylphenol.
What is the SMILES notation for 2,6-diiodo-4-sulfanylphenol?
The canonical SMILES for 2,6-diiodo-4-sulfanylphenol is Oc1c(I)cc(S)cc1I.
What is the InChIKey of 2,6-diiodo-4-sulfanylphenol?
The InChIKey is NNYBQIZRNIGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2OS/c7-4-1-3(10)2-5(8)6(4)9/h1-2,9-10H.
What are the key properties of 2,6-diiodo-4-sulfanylphenol?
2,6-diiodo-4-sulfanylphenol has a molecular weight of 377.97 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-sulfanylphenol is sourced from PubChem (CID 131073490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).