(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol

C4H6O3S2 — CID 139967546

IUPAC(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol
SMILESO/C=C/SOS/C=C/O
InChIInChI=1S/C4H6O3S2/c5-1-3-8-7-9-4-2-6/h1-6H/b3-1+,4-2+
InChIKeyKNGDJAJALPLIPK-ZPUQHVIOSA-N
MW166.22 g/mol
LogP2.36
Rot. Bonds4

About (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol

(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol (PubChem CID 139967546) has the molecular formula C4H6O3S2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol.

Molecular Properties

Compound Name(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol
PubChem CID139967546
Molecular FormulaC4H6O3S2
Molecular Weight166.22 g/mol
Exact Mass165.98
IUPAC Name(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol
SMILESO/C=C/SOS/C=C/O
InChIInChI=1S/C4H6O3S2/c5-1-3-8-7-9-4-2-6/h1-6H/b3-1+,4-2+
InChIKeyKNGDJAJALPLIPK-ZPUQHVIOSA-N
XLogP2.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol?
The IUPAC name of (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol (CID 139967546) is (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol.
What is the SMILES notation for (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol?
The canonical SMILES for (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol is O/C=C/SOS/C=C/O.
What is the InChIKey of (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol?
The InChIKey is KNGDJAJALPLIPK-ZPUQHVIOSA-N. The full InChI is InChI=1S/C4H6O3S2/c5-1-3-8-7-9-4-2-6/h1-6H/b3-1+,4-2+.
What are the key properties of (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol?
(E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol has a molecular weight of 166.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(E)-2-hydroxyethenyl]sulfanyloxysulfanylethenol is sourced from PubChem (CID 139967546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).