(2-methylsulfanylphenyl) hypoiodite

C7H7IOS — CID 144554638

IUPAC(2-methylsulfanylphenyl) hypoiodite
SMILESCSc1ccccc1OI
InChIInChI=1S/C7H7IOS/c1-10-7-5-3-2-4-6(7)9-8/h2-5H,1H3
InChIKeyGGCDWYKXABRZAV-UHFFFAOYSA-N
MW266.10 g/mol
LogP3.14
Rot. Bonds2

About (2-methylsulfanylphenyl) hypoiodite

(2-methylsulfanylphenyl) hypoiodite (PubChem CID 144554638) has the molecular formula C7H7IOS and a molecular weight of 266.10 g/mol. Its IUPAC name is (2-methylsulfanylphenyl) hypoiodite.

Molecular Properties

Compound Name(2-methylsulfanylphenyl) hypoiodite
PubChem CID144554638
Molecular FormulaC7H7IOS
Molecular Weight266.10 g/mol
Exact Mass265.93
IUPAC Name(2-methylsulfanylphenyl) hypoiodite
SMILESCSc1ccccc1OI
InChIInChI=1S/C7H7IOS/c1-10-7-5-3-2-4-6(7)9-8/h2-5H,1H3
InChIKeyGGCDWYKXABRZAV-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl) hypoiodite?
The IUPAC name of (2-methylsulfanylphenyl) hypoiodite (CID 144554638) is (2-methylsulfanylphenyl) hypoiodite.
What is the SMILES notation for (2-methylsulfanylphenyl) hypoiodite?
The canonical SMILES for (2-methylsulfanylphenyl) hypoiodite is CSc1ccccc1OI.
What is the InChIKey of (2-methylsulfanylphenyl) hypoiodite?
The InChIKey is GGCDWYKXABRZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IOS/c1-10-7-5-3-2-4-6(7)9-8/h2-5H,1H3.
What are the key properties of (2-methylsulfanylphenyl) hypoiodite?
(2-methylsulfanylphenyl) hypoiodite has a molecular weight of 266.10 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl) hypoiodite is sourced from PubChem (CID 144554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).