2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene

C8H14S2 — CID 57217733

IUPAC2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene
SMILESCC(C)=CSSC=C(C)C
InChIInChI=1S/C8H14S2/c1-7(2)5-9-10-6-8(3)4/h5-6H,1-4H3
InChIKeyFGDUHFOZOBNMHE-UHFFFAOYSA-N
MW174.33 g/mol
LogP4.22
Rot. Bonds3

About 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene

2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene (PubChem CID 57217733) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene
PubChem CID57217733
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene
SMILESCC(C)=CSSC=C(C)C
InChIInChI=1S/C8H14S2/c1-7(2)5-9-10-6-8(3)4/h5-6H,1-4H3
InChIKeyFGDUHFOZOBNMHE-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene?
The IUPAC name of 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene (CID 57217733) is 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene is CC(C)=CSSC=C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene?
The InChIKey is FGDUHFOZOBNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-7(2)5-9-10-6-8(3)4/h5-6H,1-4H3.
What are the key properties of 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene?
2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene has a molecular weight of 174.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-1-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 57217733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).