2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol

C6H10OS2Se — CID 138964527

IUPAC2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol
SMILESOCCSC1C[Se]C=CS1
InChIInChI=1S/C6H10OS2Se/c7-1-2-8-6-5-10-4-3-9-6/h3-4,6-7H,1-2,5H2
InChIKeyVNYNZNWTEWHMRO-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.38
Rot. Bonds3

About 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol

2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol (PubChem CID 138964527) has the molecular formula C6H10OS2Se and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol
PubChem CID138964527
Molecular FormulaC6H10OS2Se
Molecular Weight241.24 g/mol
Exact Mass241.93
IUPAC Name2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol
SMILESOCCSC1C[Se]C=CS1
InChIInChI=1S/C6H10OS2Se/c7-1-2-8-6-5-10-4-3-9-6/h3-4,6-7H,1-2,5H2
InChIKeyVNYNZNWTEWHMRO-UHFFFAOYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
CID 528230
2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol
CID 138966231
2-(1-Ethenylsulfanylethylsulfanyl)ethanol
CID 22211846

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol (CID 138964527) is 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol is OCCSC1C[Se]C=CS1.
What is the InChIKey of 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol?
The InChIKey is VNYNZNWTEWHMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2Se/c7-1-2-8-6-5-10-4-3-9-6/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol?
2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol has a molecular weight of 241.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-thiaselenin-2-ylsulfanyl)ethanol is sourced from PubChem (CID 138964527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).