2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane

C10H16O2S2Se2 — CID 18410082

IUPAC2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane
SMILESC1[Se]C(OCC2CS2)[Se]CC1OCC1CS1
InChIInChI=1S/C10H16O2S2Se2/c1(8-3-13-8)11-7-5-15-10(16-6-7)12-2-9-4-14-9/h7-10H,1-6H2
InChIKeyUGMIJKMTZIXYDL-UHFFFAOYSA-N
MW390.29 g/mol
LogP1.16
Rot. Bonds6

About 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane

2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane (PubChem CID 18410082) has the molecular formula C10H16O2S2Se2 and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane.

Molecular Properties

Compound Name2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane
PubChem CID18410082
Molecular FormulaC10H16O2S2Se2
Molecular Weight390.29 g/mol
Exact Mass391.89
IUPAC Name2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane
SMILESC1[Se]C(OCC2CS2)[Se]CC1OCC1CS1
InChIInChI=1S/C10H16O2S2Se2/c1(8-3-13-8)11-7-5-15-10(16-6-7)12-2-9-4-14-9/h7-10H,1-6H2
InChIKeyUGMIJKMTZIXYDL-UHFFFAOYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane?
The IUPAC name of 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane (CID 18410082) is 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane.
What is the SMILES notation for 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane?
The canonical SMILES for 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane is C1[Se]C(OCC2CS2)[Se]CC1OCC1CS1.
What is the InChIKey of 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane?
The InChIKey is UGMIJKMTZIXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S2Se2/c1(8-3-13-8)11-7-5-15-10(16-6-7)12-2-9-4-14-9/h7-10H,1-6H2.
What are the key properties of 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane?
2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane has a molecular weight of 390.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiiran-2-ylmethoxy)-1,3-diselenan-5-yl]oxymethyl]thiirane is sourced from PubChem (CID 18410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).