2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane

C8H12S2Te2 — CID 18410095

IUPAC2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane
SMILESC1C[Te]C(C2CS2)C(C2CS2)[Te]1
InChIInChI=1S/C8H12S2Te2/c1-2-12-8(6-4-10-6)7(11-1)5-3-9-5/h5-8H,1-4H2
InChIKeyOBARATARJXDBJB-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.05
Rot. Bonds2

About 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane

2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane (PubChem CID 18410095) has the molecular formula C8H12S2Te2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane.

Molecular Properties

Compound Name2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane
PubChem CID18410095
Molecular FormulaC8H12S2Te2
Molecular Weight427.52 g/mol
Exact Mass431.85
IUPAC Name2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane
SMILESC1C[Te]C(C2CS2)C(C2CS2)[Te]1
InChIInChI=1S/C8H12S2Te2/c1-2-12-8(6-4-10-6)7(11-1)5-3-9-5/h5-8H,1-4H2
InChIKeyOBARATARJXDBJB-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane?
The IUPAC name of 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane (CID 18410095) is 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane.
What is the SMILES notation for 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane?
The canonical SMILES for 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane is C1C[Te]C(C2CS2)C(C2CS2)[Te]1.
What is the InChIKey of 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane?
The InChIKey is OBARATARJXDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2Te2/c1-2-12-8(6-4-10-6)7(11-1)5-3-9-5/h5-8H,1-4H2.
What are the key properties of 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane?
2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane has a molecular weight of 427.52 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiiran-2-yl)-1,4-ditelluran-2-yl]thiirane is sourced from PubChem (CID 18410095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).