2-(thiiran-2-ylselanyl)thiirane

C4H6S2Se — CID 18760649

IUPAC2-(thiiran-2-ylselanyl)thiirane
SMILESC1SC1[Se]C1CS1
InChIInChI=1S/C4H6S2Se/c1-3(5-1)7-4-2-6-4/h3-4H,1-2H2
InChIKeyTUXTTWKRNVBBBZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.84
Rot. Bonds2

About 2-(thiiran-2-ylselanyl)thiirane

2-(thiiran-2-ylselanyl)thiirane (PubChem CID 18760649) has the molecular formula C4H6S2Se and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(thiiran-2-ylselanyl)thiirane.

Molecular Properties

Compound Name2-(thiiran-2-ylselanyl)thiirane
PubChem CID18760649
Molecular FormulaC4H6S2Se
Molecular Weight197.19 g/mol
Exact Mass197.91
IUPAC Name2-(thiiran-2-ylselanyl)thiirane
SMILESC1SC1[Se]C1CS1
InChIInChI=1S/C4H6S2Se/c1-3(5-1)7-4-2-6-4/h3-4H,1-2H2
InChIKeyTUXTTWKRNVBBBZ-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.84
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-ylselanyl)thiirane?
The IUPAC name of 2-(thiiran-2-ylselanyl)thiirane (CID 18760649) is 2-(thiiran-2-ylselanyl)thiirane.
What is the SMILES notation for 2-(thiiran-2-ylselanyl)thiirane?
The canonical SMILES for 2-(thiiran-2-ylselanyl)thiirane is C1SC1[Se]C1CS1.
What is the InChIKey of 2-(thiiran-2-ylselanyl)thiirane?
The InChIKey is TUXTTWKRNVBBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S2Se/c1-3(5-1)7-4-2-6-4/h3-4H,1-2H2.
What are the key properties of 2-(thiiran-2-ylselanyl)thiirane?
2-(thiiran-2-ylselanyl)thiirane has a molecular weight of 197.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylselanyl)thiirane is sourced from PubChem (CID 18760649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).