methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene

C8H18N2S — CID 91092144

IUPACmethyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene
SMILESC/N=N/C(C(C)C)C(C)SC
InChIInChI=1S/C8H18N2S/c1-6(2)8(10-9-4)7(3)11-5/h6-8H,1-5H3/b10-9+
InChIKeyNLEOVFVEKMXDSB-MDZDMXLPSA-N
MW174.31 g/mol
LogP2.84
Rot. Bonds4

About methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene

methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene (PubChem CID 91092144) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene.

Molecular Properties

Compound Namemethyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene
PubChem CID91092144
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Namemethyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene
SMILESC/N=N/C(C(C)C)C(C)SC
InChIInChI=1S/C8H18N2S/c1-6(2)8(10-9-4)7(3)11-5/h6-8H,1-5H3/b10-9+
InChIKeyNLEOVFVEKMXDSB-MDZDMXLPSA-N
XLogP2.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene?
The IUPAC name of methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene (CID 91092144) is methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene.
What is the SMILES notation for methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene?
The canonical SMILES for methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene is C/N=N/C(C(C)C)C(C)SC.
What is the InChIKey of methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene?
The InChIKey is NLEOVFVEKMXDSB-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H18N2S/c1-6(2)8(10-9-4)7(3)11-5/h6-8H,1-5H3/b10-9+.
What are the key properties of methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene?
methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene has a molecular weight of 174.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-4-methylsulfanylpentan-3-yl)diazene is sourced from PubChem (CID 91092144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).