2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol

C8H16O2S2 — CID 528229

IUPAC2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol
SMILESC=CSCCOCCSCCO
InChIInChI=1S/C8H16O2S2/c1-2-11-7-4-10-5-8-12-6-3-9/h2,9H,1,3-8H2
InChIKeyHAZBQYVULKRZKH-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.61
Rot. Bonds9

About 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol

2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol (PubChem CID 528229) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol
PubChem CID528229
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol
SMILESC=CSCCOCCSCCO
InChIInChI=1S/C8H16O2S2/c1-2-11-7-4-10-5-8-12-6-3-9/h2,9H,1,3-8H2
InChIKeyHAZBQYVULKRZKH-UHFFFAOYSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol (CID 528229) is 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol is C=CSCCOCCSCCO.
What is the InChIKey of 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol?
The InChIKey is HAZBQYVULKRZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S2/c1-2-11-7-4-10-5-8-12-6-3-9/h2,9H,1,3-8H2.
What are the key properties of 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol?
2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol has a molecular weight of 208.35 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenylsulfanylethoxy)ethylsulfanyl]ethanol is sourced from PubChem (CID 528229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).