4-(methyldisulfanyl)oxane

C6H12OS2 — CID 123859982

IUPAC4-(methyldisulfanyl)oxane
SMILESCSSC1CCOCC1
InChIInChI=1S/C6H12OS2/c1-8-9-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyUFIMOMNTTOCZKZ-UHFFFAOYSA-N
MW164.29 g/mol
LogP2.18
Rot. Bonds2

About 4-(methyldisulfanyl)oxane

4-(methyldisulfanyl)oxane (PubChem CID 123859982) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-(methyldisulfanyl)oxane.

Molecular Properties

Compound Name4-(methyldisulfanyl)oxane
PubChem CID123859982
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name4-(methyldisulfanyl)oxane
SMILESCSSC1CCOCC1
InChIInChI=1S/C6H12OS2/c1-8-9-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyUFIMOMNTTOCZKZ-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methyldisulfanyl)oxane?
The IUPAC name of 4-(methyldisulfanyl)oxane (CID 123859982) is 4-(methyldisulfanyl)oxane.
What is the SMILES notation for 4-(methyldisulfanyl)oxane?
The canonical SMILES for 4-(methyldisulfanyl)oxane is CSSC1CCOCC1.
What is the InChIKey of 4-(methyldisulfanyl)oxane?
The InChIKey is UFIMOMNTTOCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-8-9-6-2-4-7-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 4-(methyldisulfanyl)oxane?
4-(methyldisulfanyl)oxane has a molecular weight of 164.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyldisulfanyl)oxane is sourced from PubChem (CID 123859982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).