2-[(propyldisulfanyl)methyl]oxirane

C6H12OS2 — CID 174755902

IUPAC2-[(propyldisulfanyl)methyl]oxirane
SMILESCCCSSCC1CO1
InChIInChI=1S/C6H12OS2/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3
InChIKeyIOZBTZYXEJQOQU-UHFFFAOYSA-N
MW164.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[(propyldisulfanyl)methyl]oxirane

2-[(propyldisulfanyl)methyl]oxirane (PubChem CID 174755902) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-[(propyldisulfanyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(propyldisulfanyl)methyl]oxirane
PubChem CID174755902
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name2-[(propyldisulfanyl)methyl]oxirane
SMILESCCCSSCC1CO1
InChIInChI=1S/C6H12OS2/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3
InChIKeyIOZBTZYXEJQOQU-UHFFFAOYSA-N
XLogP2.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;2-(chloromethyl)oxirane
CID 174952392
dimethyl(oxiran-2-ylmethyl)borane
CID 20645160
2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane
CID 141395051
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
tetrakis(2-ethyloxirane);methane
CID 162010408
2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
CID 22899095
CID 175475934
CID 175475934
(2R)-2-pentyloxirane
CID 11147691
ethane;2-ethyloxirane;hexane
CID 91113410
2-(propyldisulfanyl)ethanol
CID 11977395
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151

Frequently Asked Questions

What is the IUPAC name of 2-[(propyldisulfanyl)methyl]oxirane?
The IUPAC name of 2-[(propyldisulfanyl)methyl]oxirane (CID 174755902) is 2-[(propyldisulfanyl)methyl]oxirane.
What is the SMILES notation for 2-[(propyldisulfanyl)methyl]oxirane?
The canonical SMILES for 2-[(propyldisulfanyl)methyl]oxirane is CCCSSCC1CO1.
What is the InChIKey of 2-[(propyldisulfanyl)methyl]oxirane?
The InChIKey is IOZBTZYXEJQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3.
What are the key properties of 2-[(propyldisulfanyl)methyl]oxirane?
2-[(propyldisulfanyl)methyl]oxirane has a molecular weight of 164.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propyldisulfanyl)methyl]oxirane is sourced from PubChem (CID 174755902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).