2-(propyldisulfanyl)ethanol

C5H12OS2 — CID 11977395

IUPAC2-(propyldisulfanyl)ethanol
SMILESCCCSSCCO
InChIInChI=1S/C5H12OS2/c1-2-4-7-8-5-3-6/h6H,2-5H2,1H3
InChIKeyZTSSCLJQNYJWFP-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(propyldisulfanyl)ethanol

2-(propyldisulfanyl)ethanol (PubChem CID 11977395) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-(propyldisulfanyl)ethanol.

Molecular Properties

Compound Name2-(propyldisulfanyl)ethanol
PubChem CID11977395
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name2-(propyldisulfanyl)ethanol
SMILESCCCSSCCO
InChIInChI=1S/C5H12OS2/c1-2-4-7-8-5-3-6/h6H,2-5H2,1H3
InChIKeyZTSSCLJQNYJWFP-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-(methyldisulfanyl)propane
CID 16592
1-(propylheptasulfanyl)propane
CID 14123249
ethanol;1-propylsulfanylpropane
CID 175163753
2-(tert-butyldisulfanyl)ethanol
CID 14965536
CID 6391766
CID 6391766
bis(propan-1-ol);yttrium
CID 20652670
phosphane;tris(propan-1-ol)
CID 172777513

Frequently Asked Questions

What is the IUPAC name of 2-(propyldisulfanyl)ethanol?
The IUPAC name of 2-(propyldisulfanyl)ethanol (CID 11977395) is 2-(propyldisulfanyl)ethanol.
What is the SMILES notation for 2-(propyldisulfanyl)ethanol?
The canonical SMILES for 2-(propyldisulfanyl)ethanol is CCCSSCCO.
What is the InChIKey of 2-(propyldisulfanyl)ethanol?
The InChIKey is ZTSSCLJQNYJWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-2-4-7-8-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 2-(propyldisulfanyl)ethanol?
2-(propyldisulfanyl)ethanol has a molecular weight of 152.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propyldisulfanyl)ethanol is sourced from PubChem (CID 11977395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).