2-methyl-1-(propan-2-yldisulfanyl)propane

C7H16S2 — CID 525390

IUPAC2-methyl-1-(propan-2-yldisulfanyl)propane
SMILESCC(C)CSSC(C)C
InChIInChI=1S/C7H16S2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3
InChIKeyIYFXKQOEFVPRQY-UHFFFAOYSA-N
MW164.34 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-1-(propan-2-yldisulfanyl)propane

2-methyl-1-(propan-2-yldisulfanyl)propane (PubChem CID 525390) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-yldisulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(propan-2-yldisulfanyl)propane
PubChem CID525390
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Name2-methyl-1-(propan-2-yldisulfanyl)propane
SMILESCC(C)CSSC(C)C
InChIInChI=1S/C7H16S2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3
InChIKeyIYFXKQOEFVPRQY-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(propan-2-yldisulfanyl)propane?
The IUPAC name of 2-methyl-1-(propan-2-yldisulfanyl)propane (CID 525390) is 2-methyl-1-(propan-2-yldisulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(propan-2-yldisulfanyl)propane?
The canonical SMILES for 2-methyl-1-(propan-2-yldisulfanyl)propane is CC(C)CSSC(C)C.
What is the InChIKey of 2-methyl-1-(propan-2-yldisulfanyl)propane?
The InChIKey is IYFXKQOEFVPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-6(2)5-8-9-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-methyl-1-(propan-2-yldisulfanyl)propane?
2-methyl-1-(propan-2-yldisulfanyl)propane has a molecular weight of 164.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-yldisulfanyl)propane is sourced from PubChem (CID 525390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).