2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane

C8H18O2S2 — CID 13024319

IUPAC2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane
SMILESCC(C)CSS(=O)(=O)CC(C)C
InChIInChI=1S/C8H18O2S2/c1-7(2)5-11-12(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCUGQAFJZTZJGNU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.36
Rot. Bonds5

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

2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane (PubChem CID 13024319) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane
PubChem CID13024319
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane
SMILESCC(C)CSS(=O)(=O)CC(C)C
InChIInChI=1S/C8H18O2S2/c1-7(2)5-11-12(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyCUGQAFJZTZJGNU-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.36
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 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane (CID 13024319) is 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane is CC(C)CSS(=O)(=O)CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane?
The InChIKey is CUGQAFJZTZJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-7(2)5-11-12(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane?
2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane has a molecular weight of 210.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfonylsulfanyl)propane is sourced from PubChem (CID 13024319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).