(3-iodosulfanyl-5-methylphenyl) thiohypoiodite

C7H6I2S2 — CID 138737187

IUPAC(3-iodosulfanyl-5-methylphenyl) thiohypoiodite
SMILESCc1cc(SI)cc(SI)c1
InChIInChI=1S/C7H6I2S2/c1-5-2-6(10-8)4-7(3-5)11-9/h2-4H,1H3
InChIKeyMVSZVAVBGWCTSN-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.88
Rot. Bonds2

About (3-iodosulfanyl-5-methylphenyl) thiohypoiodite

(3-iodosulfanyl-5-methylphenyl) thiohypoiodite (PubChem CID 138737187) has the molecular formula C7H6I2S2 and a molecular weight of 408.07 g/mol. Its IUPAC name is (3-iodosulfanyl-5-methylphenyl) thiohypoiodite.

Molecular Properties

Compound Name(3-iodosulfanyl-5-methylphenyl) thiohypoiodite
PubChem CID138737187
Molecular FormulaC7H6I2S2
Molecular Weight408.07 g/mol
Exact Mass407.80
IUPAC Name(3-iodosulfanyl-5-methylphenyl) thiohypoiodite
SMILESCc1cc(SI)cc(SI)c1
InChIInChI=1S/C7H6I2S2/c1-5-2-6(10-8)4-7(3-5)11-9/h2-4H,1H3
InChIKeyMVSZVAVBGWCTSN-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.88
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 (3-iodosulfanyl-5-methylphenyl) thiohypoiodite?
The IUPAC name of (3-iodosulfanyl-5-methylphenyl) thiohypoiodite (CID 138737187) is (3-iodosulfanyl-5-methylphenyl) thiohypoiodite.
What is the SMILES notation for (3-iodosulfanyl-5-methylphenyl) thiohypoiodite?
The canonical SMILES for (3-iodosulfanyl-5-methylphenyl) thiohypoiodite is Cc1cc(SI)cc(SI)c1.
What is the InChIKey of (3-iodosulfanyl-5-methylphenyl) thiohypoiodite?
The InChIKey is MVSZVAVBGWCTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2S2/c1-5-2-6(10-8)4-7(3-5)11-9/h2-4H,1H3.
What are the key properties of (3-iodosulfanyl-5-methylphenyl) thiohypoiodite?
(3-iodosulfanyl-5-methylphenyl) thiohypoiodite has a molecular weight of 408.07 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodosulfanyl-5-methylphenyl) thiohypoiodite is sourced from PubChem (CID 138737187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).