2-[1-(disulfanyl)ethoxy]propane

C5H12OS2 — CID 154990409

IUPAC2-[1-(disulfanyl)ethoxy]propane
SMILESCC(C)OC(C)SS
InChIInChI=1S/C5H12OS2/c1-4(2)6-5(3)8-7/h4-5,7H,1-3H3
InChIKeyPVPQLEHQWMUGNK-UHFFFAOYSA-N
MW152.28 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-(disulfanyl)ethoxy]propane

2-[1-(disulfanyl)ethoxy]propane (PubChem CID 154990409) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-[1-(disulfanyl)ethoxy]propane.

Molecular Properties

Compound Name2-[1-(disulfanyl)ethoxy]propane
PubChem CID154990409
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name2-[1-(disulfanyl)ethoxy]propane
SMILESCC(C)OC(C)SS
InChIInChI=1S/C5H12OS2/c1-4(2)6-5(3)8-7/h4-5,7H,1-3H3
InChIKeyPVPQLEHQWMUGNK-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(disulfanyl)ethoxy]propane?
The IUPAC name of 2-[1-(disulfanyl)ethoxy]propane (CID 154990409) is 2-[1-(disulfanyl)ethoxy]propane.
What is the SMILES notation for 2-[1-(disulfanyl)ethoxy]propane?
The canonical SMILES for 2-[1-(disulfanyl)ethoxy]propane is CC(C)OC(C)SS.
What is the InChIKey of 2-[1-(disulfanyl)ethoxy]propane?
The InChIKey is PVPQLEHQWMUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-4(2)6-5(3)8-7/h4-5,7H,1-3H3.
What are the key properties of 2-[1-(disulfanyl)ethoxy]propane?
2-[1-(disulfanyl)ethoxy]propane has a molecular weight of 152.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(disulfanyl)ethoxy]propane is sourced from PubChem (CID 154990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).