2-(thiiran-2-yl)ethane-1,1-diselenol

C4H8SSe2 — CID 174438951

IUPAC2-(thiiran-2-yl)ethane-1,1-diselenol
SMILES[SeH]C([SeH])CC1CS1
InChIInChI=1S/C4H8SSe2/c6-4(7)1-3-2-5-3/h3-4,6-7H,1-2H2
InChIKeyJDGUBROIWPBTKY-UHFFFAOYSA-N
MW246.09 g/mol
LogP0.04
Rot. Bonds2

About 2-(thiiran-2-yl)ethane-1,1-diselenol

2-(thiiran-2-yl)ethane-1,1-diselenol (PubChem CID 174438951) has the molecular formula C4H8SSe2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-(thiiran-2-yl)ethane-1,1-diselenol.

Molecular Properties

Compound Name2-(thiiran-2-yl)ethane-1,1-diselenol
PubChem CID174438951
Molecular FormulaC4H8SSe2
Molecular Weight246.09 g/mol
Exact Mass247.87
IUPAC Name2-(thiiran-2-yl)ethane-1,1-diselenol
SMILES[SeH]C([SeH])CC1CS1
InChIInChI=1S/C4H8SSe2/c6-4(7)1-3-2-5-3/h3-4,6-7H,1-2H2
InChIKeyJDGUBROIWPBTKY-UHFFFAOYSA-N
XLogP0.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
1-[2-[1-tellanyl-2-(thiiran-2-yl)ethyl]-1,3-diselenolan-4-yl]-2-(thiiran-2-yl)ethanetellurol
CID 173200720
2-(thiiran-2-yl)acetaldehyde
CID 173123959
(2S)-2-(chloromethyl)thiirane
CID 7157115
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
dimethyl-[2-(thiiran-2-yl)ethyl]borane
CID 20653692
2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
CID 87707235
2-(methoxymethyl)thiirane
CID 29837
2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane
CID 166746476
3-(dithietan-3-ylmethyl)dithietane
CID 18410063
2,6,7-trithiabicyclo[2.2.1]heptane
CID 89429207
2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
CID 122441293

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-yl)ethane-1,1-diselenol?
The IUPAC name of 2-(thiiran-2-yl)ethane-1,1-diselenol (CID 174438951) is 2-(thiiran-2-yl)ethane-1,1-diselenol.
What is the SMILES notation for 2-(thiiran-2-yl)ethane-1,1-diselenol?
The canonical SMILES for 2-(thiiran-2-yl)ethane-1,1-diselenol is [SeH]C([SeH])CC1CS1.
What is the InChIKey of 2-(thiiran-2-yl)ethane-1,1-diselenol?
The InChIKey is JDGUBROIWPBTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8SSe2/c6-4(7)1-3-2-5-3/h3-4,6-7H,1-2H2.
What are the key properties of 2-(thiiran-2-yl)ethane-1,1-diselenol?
2-(thiiran-2-yl)ethane-1,1-diselenol has a molecular weight of 246.09 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-yl)ethane-1,1-diselenol is sourced from PubChem (CID 174438951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).