1-phenyl-1,4-thiatelluran-1-ium

C10H13STe+ — CID 155635550

IUPAC1-phenyl-1,4-thiatelluran-1-ium
SMILESc1ccc([S+]2CC[Te]CC2)cc1
InChIInChI=1S/C10H13STe/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2/q+1
InChIKeyWDKXSOWUQRZYBB-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.22
Rot. Bonds1

About 1-phenyl-1,4-thiatelluran-1-ium

1-phenyl-1,4-thiatelluran-1-ium (PubChem CID 155635550) has the molecular formula C10H13STe+ and a molecular weight of 292.88 g/mol. Its IUPAC name is 1-phenyl-1,4-thiatelluran-1-ium.

Molecular Properties

Compound Name1-phenyl-1,4-thiatelluran-1-ium
PubChem CID155635550
Molecular FormulaC10H13STe+
Molecular Weight292.88 g/mol
Exact Mass294.98
IUPAC Name1-phenyl-1,4-thiatelluran-1-ium
SMILESc1ccc([S+]2CC[Te]CC2)cc1
InChIInChI=1S/C10H13STe/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2/q+1
InChIKeyWDKXSOWUQRZYBB-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,4-thiatelluran-1-ium?
The IUPAC name of 1-phenyl-1,4-thiatelluran-1-ium (CID 155635550) is 1-phenyl-1,4-thiatelluran-1-ium.
What is the SMILES notation for 1-phenyl-1,4-thiatelluran-1-ium?
The canonical SMILES for 1-phenyl-1,4-thiatelluran-1-ium is c1ccc([S+]2CC[Te]CC2)cc1.
What is the InChIKey of 1-phenyl-1,4-thiatelluran-1-ium?
The InChIKey is WDKXSOWUQRZYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13STe/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2/q+1.
What are the key properties of 1-phenyl-1,4-thiatelluran-1-ium?
1-phenyl-1,4-thiatelluran-1-ium has a molecular weight of 292.88 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,4-thiatelluran-1-ium is sourced from PubChem (CID 155635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).