2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol

C4H8OS4 — CID 88897315

IUPAC2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol
SMILESOCCSC(S)=C(S)S
InChIInChI=1S/C4H8OS4/c5-1-2-9-4(8)3(6)7/h5-8H,1-2H2
InChIKeyWKIWQSKHZDVTRC-UHFFFAOYSA-N
MW200.37 g/mol
LogP1.63
Rot. Bonds3

About 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol

2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol (PubChem CID 88897315) has the molecular formula C4H8OS4 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol
PubChem CID88897315
Molecular FormulaC4H8OS4
Molecular Weight200.37 g/mol
Exact Mass199.95
IUPAC Name2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol
SMILESOCCSC(S)=C(S)S
InChIInChI=1S/C4H8OS4/c5-1-2-9-4(8)3(6)7/h5-8H,1-2H2
InChIKeyWKIWQSKHZDVTRC-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Bis(2-hydroxyethylthio)methane
CID 94785
2-((2-Sulfanylethyl)sulfanyl)ethan-1-ol
CID 5255742
4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiole-2-thione
CID 2325588
2,2-Dimethylthioethanol
CID 14729212
Ethanol, 2-(methylthio)methylthio
CID 20700707
Stk368240
CID 3798772
2-[1-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 101668185
2-(Ethylsulfanylmethylsulfanyl)ethanol
CID 22572364
2-[2-(2-Sulfanylethylsulfanyl)ethylsulfanyl]ethanol
CID 22975930
2-(2-Hydroxyethylsulfanylmethylsulfanylmethylsulfanyl)ethanol
CID 23115240
2-(Sulfanylmethylsulfanyl)ethanol
CID 56997711
2-[2,2,2-Tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
CID 57080295

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol?
The IUPAC name of 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol (CID 88897315) is 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol.
What is the SMILES notation for 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol?
The canonical SMILES for 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol is OCCSC(S)=C(S)S.
What is the InChIKey of 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol?
The InChIKey is WKIWQSKHZDVTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS4/c5-1-2-9-4(8)3(6)7/h5-8H,1-2H2.
What are the key properties of 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol?
2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol has a molecular weight of 200.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,2-tris(sulfanyl)ethenylsulfanyl]ethanol is sourced from PubChem (CID 88897315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).