2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol

C14H20O2S6Se2 — CID 11071882

IUPAC2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
SMILESCCSC1=C(SCCO)S/C(=C2/SC(SCCO)=C(SCC)[Se]2)[Se]1
InChIInChI=1S/C14H20O2S6Se2/c1-3-17-11-9(19-7-5-15)21-13(23-11)14-22-10(20-8-6-16)12(24-14)18-4-2/h15-16H,3-8H2,1-2H3/b14-13+
InChIKeyGTEVWAGVJYEFCP-BUHFOSPRSA-N
MW570.63 g/mol
LogP4.23
Rot. Bonds10

About 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol

2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol (PubChem CID 11071882) has the molecular formula C14H20O2S6Se2 and a molecular weight of 570.63 g/mol. Its IUPAC name is 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
PubChem CID11071882
Molecular FormulaC14H20O2S6Se2
Molecular Weight570.63 g/mol
Exact Mass571.81
IUPAC Name2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
SMILESCCSC1=C(SCCO)S/C(=C2/SC(SCCO)=C(SCC)[Se]2)[Se]1
InChIInChI=1S/C14H20O2S6Se2/c1-3-17-11-9(19-7-5-15)21-13(23-11)14-22-10(20-8-6-16)12(24-14)18-4-2/h15-16H,3-8H2,1-2H3/b14-13+
InChIKeyGTEVWAGVJYEFCP-BUHFOSPRSA-N
XLogP4.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.63
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol with MolForge

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Related Compounds

2-[[2-[4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 5136326
2-[[2-[4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-ylidene]-5-propylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 89503583
2-[[2-[4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-yl]-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 123608552
2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
CID 10865261
2-[[(2E)-4-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 10876086
2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10883227
4-Ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenole-2-thione
CID 11034465
2-[[(2E)-5-ethylselanyl-2-[5-ethylselanyl-4-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-4-yl]sulfanyl]ethanol
CID 11104311
2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
CID 11104667
2-[[(2E)-2-[4-(2-hydroxyethylsulfanyl)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11315132
2-[[(2E)-2-[4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-diselenol-2-ylidene]-5-methylsulfanyl-1,3-diselenol-4-yl]sulfanyl]ethanol
CID 11767392
4-(2-Hydroxyethylsulfanyl)-5-methylselanyl-1,3-dithiole-2-thione
CID 11833601

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol (CID 11071882) is 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol is CCSC1=C(SCCO)S/C(=C2/SC(SCCO)=C(SCC)[Se]2)[Se]1.
What is the InChIKey of 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol?
The InChIKey is GTEVWAGVJYEFCP-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H20O2S6Se2/c1-3-17-11-9(19-7-5-15)21-13(23-11)14-22-10(20-8-6-16)12(24-14)18-4-2/h15-16H,3-8H2,1-2H3/b14-13+.
What are the key properties of 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol?
2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol has a molecular weight of 570.63 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol is sourced from PubChem (CID 11071882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).