2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane

C8H18OS2 — CID 23453508

IUPAC2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane
SMILESCC(C)CSOSCC(C)C
InChIInChI=1S/C8H18OS2/c1-7(2)5-10-9-11-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyBFDMOAZMLIUXEW-UHFFFAOYSA-N
MW194.36 g/mol
LogP3.61
Rot. Bonds6

About 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane

2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane (PubChem CID 23453508) has the molecular formula C8H18OS2 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane
PubChem CID23453508
Molecular FormulaC8H18OS2
Molecular Weight194.36 g/mol
Exact Mass194.08
IUPAC Name2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane
SMILESCC(C)CSOSCC(C)C
InChIInChI=1S/C8H18OS2/c1-7(2)5-10-9-11-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyBFDMOAZMLIUXEW-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane (CID 23453508) is 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane is CC(C)CSOSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane?
The InChIKey is BFDMOAZMLIUXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS2/c1-7(2)5-10-9-11-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane?
2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane has a molecular weight of 194.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfanyloxysulfanyl)propane is sourced from PubChem (CID 23453508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).