2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol

C6H10OS2Se — CID 138966231

IUPAC2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol
SMILESC=CS/C=C\[Se]SCCO
InChIInChI=1S/C6H10OS2Se/c1-2-8-5-6-10-9-4-3-7/h2,5-7H,1,3-4H2/b6-5-
InChIKeyKXVOEGVSYAFIGZ-WAYWQWQTSA-N
MW241.24 g/mol
LogP1.68
Rot. Bonds6

About 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol

2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol (PubChem CID 138966231) has the molecular formula C6H10OS2Se and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol.

Molecular Properties

Compound Name2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol
PubChem CID138966231
Molecular FormulaC6H10OS2Se
Molecular Weight241.24 g/mol
Exact Mass241.93
IUPAC Name2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol
SMILESC=CS/C=C\[Se]SCCO
InChIInChI=1S/C6H10OS2Se/c1-2-8-5-6-10-9-4-3-7/h2,5-7H,1,3-4H2/b6-5-
InChIKeyKXVOEGVSYAFIGZ-WAYWQWQTSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol?
The IUPAC name of 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol (CID 138966231) is 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol.
What is the SMILES notation for 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol?
The canonical SMILES for 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol is C=CS/C=C\[Se]SCCO.
What is the InChIKey of 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol?
The InChIKey is KXVOEGVSYAFIGZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10OS2Se/c1-2-8-5-6-10-9-4-3-7/h2,5-7H,1,3-4H2/b6-5-.
What are the key properties of 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol?
2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol has a molecular weight of 241.24 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-ethenylsulfanylethenyl]selanylsulfanylethanol is sourced from PubChem (CID 138966231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).