2-(2-sulfanylethenoxy)ethenol

C4H6O2S — CID 173322110

IUPAC2-(2-sulfanylethenoxy)ethenol
SMILESOC=COC=CS
InChIInChI=1S/C4H6O2S/c5-1-2-6-3-4-7/h1-5,7H
InChIKeyCVRKREWWPGACHT-UHFFFAOYSA-N
MW118.16 g/mol
LogP1.43
Rot. Bonds2

About 2-(2-sulfanylethenoxy)ethenol

2-(2-sulfanylethenoxy)ethenol (PubChem CID 173322110) has the molecular formula C4H6O2S and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-(2-sulfanylethenoxy)ethenol.

Molecular Properties

Compound Name2-(2-sulfanylethenoxy)ethenol
PubChem CID173322110
Molecular FormulaC4H6O2S
Molecular Weight118.16 g/mol
Exact Mass118.01
IUPAC Name2-(2-sulfanylethenoxy)ethenol
SMILESOC=COC=CS
InChIInChI=1S/C4H6O2S/c5-1-2-6-3-4-7/h1-5,7H
InChIKeyCVRKREWWPGACHT-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethenoxy)ethenol?
The IUPAC name of 2-(2-sulfanylethenoxy)ethenol (CID 173322110) is 2-(2-sulfanylethenoxy)ethenol.
What is the SMILES notation for 2-(2-sulfanylethenoxy)ethenol?
The canonical SMILES for 2-(2-sulfanylethenoxy)ethenol is OC=COC=CS.
What is the InChIKey of 2-(2-sulfanylethenoxy)ethenol?
The InChIKey is CVRKREWWPGACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S/c5-1-2-6-3-4-7/h1-5,7H.
What are the key properties of 2-(2-sulfanylethenoxy)ethenol?
2-(2-sulfanylethenoxy)ethenol has a molecular weight of 118.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethenoxy)ethenol is sourced from PubChem (CID 173322110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).