2-ethenylsulfanyloxyethanol

C4H8O2S — CID 174373639

IUPAC2-ethenylsulfanyloxyethanol
SMILESC=CSOCCO
InChIInChI=1S/C4H8O2S/c1-2-7-6-4-3-5/h2,5H,1,3-4H2
InChIKeyZVKPUQCSZIDOON-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.79
Rot. Bonds4

About 2-ethenylsulfanyloxyethanol

2-ethenylsulfanyloxyethanol (PubChem CID 174373639) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-ethenylsulfanyloxyethanol.

Molecular Properties

Compound Name2-ethenylsulfanyloxyethanol
PubChem CID174373639
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name2-ethenylsulfanyloxyethanol
SMILESC=CSOCCO
InChIInChI=1S/C4H8O2S/c1-2-7-6-4-3-5/h2,5H,1,3-4H2
InChIKeyZVKPUQCSZIDOON-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-ethenylsulfanyloxyethanol?
The IUPAC name of 2-ethenylsulfanyloxyethanol (CID 174373639) is 2-ethenylsulfanyloxyethanol.
What is the SMILES notation for 2-ethenylsulfanyloxyethanol?
The canonical SMILES for 2-ethenylsulfanyloxyethanol is C=CSOCCO.
What is the InChIKey of 2-ethenylsulfanyloxyethanol?
The InChIKey is ZVKPUQCSZIDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c1-2-7-6-4-3-5/h2,5H,1,3-4H2.
What are the key properties of 2-ethenylsulfanyloxyethanol?
2-ethenylsulfanyloxyethanol has a molecular weight of 120.17 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyloxyethanol is sourced from PubChem (CID 174373639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).