3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene

C11H24N2S2 — CID 57062232

IUPAC3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene
SMILESCCC/N=N/CCC(CC)SCCSC
InChIInChI=1S/C11H24N2S2/c1-4-7-12-13-8-6-11(5-2)15-10-9-14-3/h11H,4-10H2,1-3H3/b13-12+
InChIKeyJAVLOJQAZDPLAF-OUKQBFOZSA-N
MW248.46 g/mol
LogP4.11
Rot. Bonds10

About 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene

3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene (PubChem CID 57062232) has the molecular formula C11H24N2S2 and a molecular weight of 248.46 g/mol. Its IUPAC name is 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene.

Molecular Properties

Compound Name3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene
PubChem CID57062232
Molecular FormulaC11H24N2S2
Molecular Weight248.46 g/mol
Exact Mass248.14
IUPAC Name3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene
SMILESCCC/N=N/CCC(CC)SCCSC
InChIInChI=1S/C11H24N2S2/c1-4-7-12-13-8-6-11(5-2)15-10-9-14-3/h11H,4-10H2,1-3H3/b13-12+
InChIKeyJAVLOJQAZDPLAF-OUKQBFOZSA-N
XLogP4.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene?
The IUPAC name of 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene (CID 57062232) is 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene.
What is the SMILES notation for 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene?
The canonical SMILES for 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene is CCC/N=N/CCC(CC)SCCSC.
What is the InChIKey of 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene?
The InChIKey is JAVLOJQAZDPLAF-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H24N2S2/c1-4-7-12-13-8-6-11(5-2)15-10-9-14-3/h11H,4-10H2,1-3H3/b13-12+.
What are the key properties of 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene?
3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene has a molecular weight of 248.46 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethylsulfanyl)pentyl-propyldiazene is sourced from PubChem (CID 57062232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).