2-(oxolan-2-yldisulfanyl)oxolane

C8H14O2S2 — CID 87150973

IUPAC2-(oxolan-2-yldisulfanyl)oxolane
SMILESC1COC(SSC2CCCO2)C1
InChIInChI=1S/C8H14O2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h7-8H,1-6H2
InChIKeySCOIMDYYZIKTFB-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.64
Rot. Bonds3

About 2-(oxolan-2-yldisulfanyl)oxolane

2-(oxolan-2-yldisulfanyl)oxolane (PubChem CID 87150973) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(oxolan-2-yldisulfanyl)oxolane.

Molecular Properties

Compound Name2-(oxolan-2-yldisulfanyl)oxolane
PubChem CID87150973
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name2-(oxolan-2-yldisulfanyl)oxolane
SMILESC1COC(SSC2CCCO2)C1
InChIInChI=1S/C8H14O2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h7-8H,1-6H2
InChIKeySCOIMDYYZIKTFB-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-yl thiohypofluorite;tetrahydrofluoride
CID 173461744
[(2R)-oxolan-2-yl]sulfanylformic acid
CID 87718897
2-prop-2-enylsulfanyloxolane
CID 11367062
trimethyl(oxan-2-ylsulfanylmethyl)silane
CID 13498367
2-(3-chlorophenyl)sulfanyloxolane
CID 131089658
2-(phenylsulfanylmethylsulfanyl)oxane
CID 15251861
2-(oxiran-2-yl)oxolane
CID 18759351
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(morpholin-2-yldisulfanyl)morpholine
CID 22625305
2-chlorooxolane;hydrochloride
CID 146484835
methane;oxolan-2-ol
CID 174893517
lithium 2-methanidyloxolane
CID 22401610

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yldisulfanyl)oxolane?
The IUPAC name of 2-(oxolan-2-yldisulfanyl)oxolane (CID 87150973) is 2-(oxolan-2-yldisulfanyl)oxolane.
What is the SMILES notation for 2-(oxolan-2-yldisulfanyl)oxolane?
The canonical SMILES for 2-(oxolan-2-yldisulfanyl)oxolane is C1COC(SSC2CCCO2)C1.
What is the InChIKey of 2-(oxolan-2-yldisulfanyl)oxolane?
The InChIKey is SCOIMDYYZIKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h7-8H,1-6H2.
What are the key properties of 2-(oxolan-2-yldisulfanyl)oxolane?
2-(oxolan-2-yldisulfanyl)oxolane has a molecular weight of 206.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yldisulfanyl)oxolane is sourced from PubChem (CID 87150973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).