4-iodo-4-methyl-1,4λ4-thiatellurane

C5H11ISTe — CID 134925847

IUPAC4-iodo-4-methyl-1,4λ4-thiatellurane
SMILESC[Te]1(I)CCSCC1
InChIInChI=1S/C5H11ISTe/c1-8(6)4-2-7-3-5-8/h2-5H2,1H3
InChIKeyRETBIPCVEYUONQ-UHFFFAOYSA-N
MW357.71 g/mol
LogP2.74
Rot. Bonds

About 4-iodo-4-methyl-1,4λ4-thiatellurane

4-iodo-4-methyl-1,4λ4-thiatellurane (PubChem CID 134925847) has the molecular formula C5H11ISTe and a molecular weight of 357.71 g/mol. Its IUPAC name is 4-iodo-4-methyl-1,4λ4-thiatellurane.

Molecular Properties

Compound Name4-iodo-4-methyl-1,4λ4-thiatellurane
PubChem CID134925847
Molecular FormulaC5H11ISTe
Molecular Weight357.71 g/mol
Exact Mass359.87
IUPAC Name4-iodo-4-methyl-1,4λ4-thiatellurane
SMILESC[Te]1(I)CCSCC1
InChIInChI=1S/C5H11ISTe/c1-8(6)4-2-7-3-5-8/h2-5H2,1H3
InChIKeyRETBIPCVEYUONQ-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.71
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-4-methyl-1,4λ4-thiatellurane?
The IUPAC name of 4-iodo-4-methyl-1,4λ4-thiatellurane (CID 134925847) is 4-iodo-4-methyl-1,4λ4-thiatellurane.
What is the SMILES notation for 4-iodo-4-methyl-1,4λ4-thiatellurane?
The canonical SMILES for 4-iodo-4-methyl-1,4λ4-thiatellurane is C[Te]1(I)CCSCC1.
What is the InChIKey of 4-iodo-4-methyl-1,4λ4-thiatellurane?
The InChIKey is RETBIPCVEYUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ISTe/c1-8(6)4-2-7-3-5-8/h2-5H2,1H3.
What are the key properties of 4-iodo-4-methyl-1,4λ4-thiatellurane?
4-iodo-4-methyl-1,4λ4-thiatellurane has a molecular weight of 357.71 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-4-methyl-1,4λ4-thiatellurane is sourced from PubChem (CID 134925847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).