diiodo(2H3)methylarsane

• ChemBase ID: 173597
• Molecular Formular: CH3AsI2
• Molecular Mass: 343.76506
• Monoisotopic Mass: 343.7540171
• SMILES: I[As](I)C
• Canonical SMILES: C[As](I)I
• InChI: InChI=1S/CH3AsI2/c1-2(3)4/h1H3
• InChIKey: ZKGSUVMABCXPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodo(^2H₃)methylarsane
• IUPAC Traditional name: diiodo(^2H₃)methylarsane
• Synonyms: Diiodomethylarsine-d3; Methylarsine-d3 Diiodide; Methylarsonous-d3 Diiodide; Methyldiiodoarsine-d3

Database IDs

• PubChem SID: 164229507
• PubChem CID: 71750294

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9439
• LogD (pH = 7.4): 1.9439
• Log P: 1.9439
• Molar Refractivity: 32.6273 cm^3
• Polarizability: 17.613453 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M303687

Labelled Methyldiiodoarsine, an arsenite metabolite in wild type CHO cells and in cells deficient in excision repair cross-complementing 1 and 2. Methyldiiodoarsine is an inhibitor of Thioredoxin reductase, an enzyme involved in the response of the cell t

REFERENCES

• Lin, S. et al.: Chem. Res. Toxicol., 12, 924 (1999)
• Vahidnia, A. et al.: Toxicol. Vitro, 22, 1662 (1999)
• Patrick, J. et al. Chem. Res. Toxicol., 14, 651 (1999)