1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol

C11H18S2Se2Te2 — CID 173200720

IUPAC1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol
SMILES[TeH]C(CC1CS1)C1C[Se]C(C([TeH])CC2CS2)[Se]1
InChIInChI=1S/C11H18S2Se2Te2/c16-9(1-6-3-12-6)8-5-14-11(15-8)10(17)2-7-4-13-7/h6-11,16-17H,1-5H2
InChIKeyAAWBVIZJCQXVRQ-UHFFFAOYSA-N
MW627.52 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol

1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol (PubChem CID 173200720) has the molecular formula C11H18S2Se2Te2 and a molecular weight of 627.52 g/mol. Its IUPAC name is 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol.

Molecular Properties

Compound Name1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol
PubChem CID173200720
Molecular FormulaC11H18S2Se2Te2
Molecular Weight627.52 g/mol
Exact Mass633.73
IUPAC Name1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol
SMILES[TeH]C(CC1CS1)C1C[Se]C(C([TeH])CC2CS2)[Se]1
InChIInChI=1S/C11H18S2Se2Te2/c16-9(1-6-3-12-6)8-5-14-11(15-8)10(17)2-7-4-13-7/h6-11,16-17H,1-5H2
InChIKeyAAWBVIZJCQXVRQ-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.52
LogP ≤ 51.75
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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Related Compounds

1-[2-[1-selanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenan-5-yl]-2-(thiiran-2-yl)ethaneselenol
CID 173200709
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951
2-[[5-(thiiran-2-ylmethoxymethyl)-1,4-diselenan-2-yl]methoxymethyl]thiirane
CID 18410121
2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane
CID 18410082
1-[2-[2-selanylidene-3-(thiiran-2-yl)propyl]-1,3-diselenolan-4-yl]-3-(thiiran-2-yl)propane-2-selone
CID 87948890
2-(thiiran-2-yl)acetaldehyde
CID 173123959
(2S)-2-(chloromethyl)thiirane
CID 7157115
2-[[5-(thiiran-2-ylmethylsulfanyl)-1,3-diselenolan-4-yl]sulfanylmethyl]thiirane
CID 87188336
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
2-[2,2-bis(thiiran-2-ylmethyl)butyl]thiirane
CID 87707092
2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
CID 87707235
2-(thiiran-2-yl)-1-[2-[2-(thiiran-2-yl)ethanetelluroyl]-1,3-diselenan-4-yl]ethanetellone
CID 18410060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol?
The IUPAC name of 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol (CID 173200720) is 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol.
What is the SMILES notation for 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol?
The canonical SMILES for 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol is [TeH]C(CC1CS1)C1C[Se]C(C([TeH])CC2CS2)[Se]1.
What is the InChIKey of 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol?
The InChIKey is AAWBVIZJCQXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2Se2Te2/c16-9(1-6-3-12-6)8-5-14-11(15-8)10(17)2-7-4-13-7/h6-11,16-17H,1-5H2.
What are the key properties of 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol?
1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol has a molecular weight of 627.52 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol is sourced from PubChem (CID 173200720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).