2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone

C12H16S2Se2Te2 — CID 18410060

IUPAC2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone
SMILES[Te]=C(CC1CS1)C1CC[Se]C(C(=[Te])CC2CS2)[Se]1
InChIInChI=1S/C12H16S2Se2Te2/c17-10(3-7-5-13-7)9-1-2-15-12(16-9)11(18)4-8-6-14-8/h7-9,12H,1-6H2
InChIKeyOEQKDZKGIKGYKC-UHFFFAOYSA-N
MW637.51 g/mol
LogP1.44
Rot. Bonds6

About 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone

2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone (PubChem CID 18410060) has the molecular formula C12H16S2Se2Te2 and a molecular weight of 637.51 g/mol. Its IUPAC name is 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone.

Molecular Properties

Compound Name2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone
PubChem CID18410060
Molecular FormulaC12H16S2Se2Te2
Molecular Weight637.51 g/mol
Exact Mass643.71
IUPAC Name2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone
SMILES[Te]=C(CC1CS1)C1CC[Se]C(C(=[Te])CC2CS2)[Se]1
InChIInChI=1S/C12H16S2Se2Te2/c17-10(3-7-5-13-7)9-1-2-15-12(16-9)11(18)4-8-6-14-8/h7-9,12H,1-6H2
InChIKeyOEQKDZKGIKGYKC-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.51
LogP ≤ 51.44
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-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone?
The IUPAC name of 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone (CID 18410060) is 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone.
What is the SMILES notation for 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone?
The canonical SMILES for 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone is [Te]=C(CC1CS1)C1CC[Se]C(C(=[Te])CC2CS2)[Se]1.
What is the InChIKey of 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone?
The InChIKey is OEQKDZKGIKGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S2Se2Te2/c17-10(3-7-5-13-7)9-1-2-15-12(16-9)11(18)4-8-6-14-8/h7-9,12H,1-6H2.
What are the key properties of 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone?
2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone has a molecular weight of 637.51 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone is sourced from PubChem (CID 18410060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).