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

C10H16S2Te2 — CID 18410097

IUPAC2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane
SMILESC1C[Te]C(CC2CS2)C(CC2CS2)[Te]1
InChIInChI=1S/C10H16S2Te2/c1-2-14-10(4-8-6-12-8)9(13-1)3-7-5-11-7/h7-10H,1-6H2
InChIKeyPSAUMLFECDDSGO-UHFFFAOYSA-N
MW455.57 g/mol
LogP2.83
Rot. Bonds4

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

2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane (PubChem CID 18410097) has the molecular formula C10H16S2Te2 and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane.

Molecular Properties

Compound Name2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane
PubChem CID18410097
Molecular FormulaC10H16S2Te2
Molecular Weight455.57 g/mol
Exact Mass459.88
IUPAC Name2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane
SMILESC1C[Te]C(CC2CS2)C(CC2CS2)[Te]1
InChIInChI=1S/C10H16S2Te2/c1-2-14-10(4-8-6-12-8)9(13-1)3-7-5-11-7/h7-10H,1-6H2
InChIKeyPSAUMLFECDDSGO-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 52.83
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-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane?
The IUPAC name of 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane (CID 18410097) is 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane.
What is the SMILES notation for 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane?
The canonical SMILES for 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane is C1C[Te]C(CC2CS2)C(CC2CS2)[Te]1.
What is the InChIKey of 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane?
The InChIKey is PSAUMLFECDDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2Te2/c1-2-14-10(4-8-6-12-8)9(13-1)3-7-5-11-7/h7-10H,1-6H2.
What are the key properties of 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane?
2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane has a molecular weight of 455.57 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiiran-2-ylmethyl)-1,4-ditelluran-2-yl]methyl]thiirane is sourced from PubChem (CID 18410097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).