2-sulfanyloxyethylcyclopropane

C5H10OS — CID 89367149

IUPAC2-sulfanyloxyethylcyclopropane
SMILESSOCCC1CC1
InChIInChI=1S/C5H10OS/c7-6-4-3-5-1-2-5/h5,7H,1-4H2
InChIKeyVXYHHSRYKWMUDR-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.65
Rot. Bonds3

About 2-sulfanyloxyethylcyclopropane

2-sulfanyloxyethylcyclopropane (PubChem CID 89367149) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-sulfanyloxyethylcyclopropane.

Molecular Properties

Compound Name2-sulfanyloxyethylcyclopropane
PubChem CID89367149
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-sulfanyloxyethylcyclopropane
SMILESSOCCC1CC1
InChIInChI=1S/C5H10OS/c7-6-4-3-5-1-2-5/h5,7H,1-4H2
InChIKeyVXYHHSRYKWMUDR-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyloxyethylcyclopropane?
The IUPAC name of 2-sulfanyloxyethylcyclopropane (CID 89367149) is 2-sulfanyloxyethylcyclopropane.
What is the SMILES notation for 2-sulfanyloxyethylcyclopropane?
The canonical SMILES for 2-sulfanyloxyethylcyclopropane is SOCCC1CC1.
What is the InChIKey of 2-sulfanyloxyethylcyclopropane?
The InChIKey is VXYHHSRYKWMUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c7-6-4-3-5-1-2-5/h5,7H,1-4H2.
What are the key properties of 2-sulfanyloxyethylcyclopropane?
2-sulfanyloxyethylcyclopropane has a molecular weight of 118.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyloxyethylcyclopropane is sourced from PubChem (CID 89367149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).