1-(tert-butyldisulfanyl)-2-methylpropane

C8H18S2 — CID 525347

IUPAC1-(tert-butyldisulfanyl)-2-methylpropane
SMILESCC(C)CSSC(C)(C)C
InChIInChI=1S/C8H18S2/c1-7(2)6-9-10-8(3,4)5/h7H,6H2,1-5H3
InChIKeyZVSGZORIEHXCDY-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.82
Rot. Bonds3

About 1-(tert-butyldisulfanyl)-2-methylpropane

1-(tert-butyldisulfanyl)-2-methylpropane (PubChem CID 525347) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol. Its IUPAC name is 1-(tert-butyldisulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(tert-butyldisulfanyl)-2-methylpropane
PubChem CID525347
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name1-(tert-butyldisulfanyl)-2-methylpropane
SMILESCC(C)CSSC(C)(C)C
InChIInChI=1S/C8H18S2/c1-7(2)6-9-10-8(3,4)5/h7H,6H2,1-5H3
InChIKeyZVSGZORIEHXCDY-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.82
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 1-(tert-butyldisulfanyl)-2-methylpropane?
The IUPAC name of 1-(tert-butyldisulfanyl)-2-methylpropane (CID 525347) is 1-(tert-butyldisulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(tert-butyldisulfanyl)-2-methylpropane?
The canonical SMILES for 1-(tert-butyldisulfanyl)-2-methylpropane is CC(C)CSSC(C)(C)C.
What is the InChIKey of 1-(tert-butyldisulfanyl)-2-methylpropane?
The InChIKey is ZVSGZORIEHXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2/c1-7(2)6-9-10-8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-(tert-butyldisulfanyl)-2-methylpropane?
1-(tert-butyldisulfanyl)-2-methylpropane has a molecular weight of 178.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butyldisulfanyl)-2-methylpropane is sourced from PubChem (CID 525347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).