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

C7H10S2Se2 — CID 18410072

IUPAC2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane
SMILESC1SC1C1C[Se]C(C2CS2)[Se]1
InChIInChI=1S/C7H10S2Se2/c1-4(8-1)6-3-10-7(11-6)5-2-9-5/h4-7H,1-3H2
InChIKeyDJBOFILTHKVFLU-UHFFFAOYSA-N
MW316.21 g/mol
LogP1.59
Rot. Bonds2

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

2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane (PubChem CID 18410072) has the molecular formula C7H10S2Se2 and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane.

Molecular Properties

Compound Name2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane
PubChem CID18410072
Molecular FormulaC7H10S2Se2
Molecular Weight316.21 g/mol
Exact Mass317.86
IUPAC Name2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane
SMILESC1SC1C1C[Se]C(C2CS2)[Se]1
InChIInChI=1S/C7H10S2Se2/c1-4(8-1)6-3-10-7(11-6)5-2-9-5/h4-7H,1-3H2
InChIKeyDJBOFILTHKVFLU-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 51.59
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-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane?
The IUPAC name of 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane (CID 18410072) is 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane.
What is the SMILES notation for 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane?
The canonical SMILES for 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane is C1SC1C1C[Se]C(C2CS2)[Se]1.
What is the InChIKey of 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane?
The InChIKey is DJBOFILTHKVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S2Se2/c1-4(8-1)6-3-10-7(11-6)5-2-9-5/h4-7H,1-3H2.
What are the key properties of 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane?
2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane has a molecular weight of 316.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-yl)-1,3-diselenolan-4-yl]thiirane is sourced from PubChem (CID 18410072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).