2-(2-ethenylsulfanylethylsulfanyl)ethanol

C6H12OS2 — CID 528230

IUPAC2-(2-ethenylsulfanylethylsulfanyl)ethanol
SMILESC=CSCCSCCO
InChIInChI=1S/C6H12OS2/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
InChIKeyAOIHPKYLXCJSNB-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-ethenylsulfanylethylsulfanyl)ethanol

2-(2-ethenylsulfanylethylsulfanyl)ethanol (PubChem CID 528230) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-(2-ethenylsulfanylethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-ethenylsulfanylethylsulfanyl)ethanol
PubChem CID528230
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name2-(2-ethenylsulfanylethylsulfanyl)ethanol
SMILESC=CSCCSCCO
InChIInChI=1S/C6H12OS2/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2
InChIKeyAOIHPKYLXCJSNB-UHFFFAOYSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylsulfanylethylsulfanyl)ethanol?
The IUPAC name of 2-(2-ethenylsulfanylethylsulfanyl)ethanol (CID 528230) is 2-(2-ethenylsulfanylethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-ethenylsulfanylethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-ethenylsulfanylethylsulfanyl)ethanol is C=CSCCSCCO.
What is the InChIKey of 2-(2-ethenylsulfanylethylsulfanyl)ethanol?
The InChIKey is AOIHPKYLXCJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-2-8-5-6-9-4-3-7/h2,7H,1,3-6H2.
What are the key properties of 2-(2-ethenylsulfanylethylsulfanyl)ethanol?
2-(2-ethenylsulfanylethylsulfanyl)ethanol has a molecular weight of 164.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylsulfanylethylsulfanyl)ethanol is sourced from PubChem (CID 528230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).