tert-butylsulfanyl-(3-methylphenyl)diazene

C11H16N2S — CID 14973014

IUPACtert-butylsulfanyl-(3-methylphenyl)diazene
SMILESCc1cccc(/N=N/SC(C)(C)C)c1
InChIInChI=1S/C11H16N2S/c1-9-6-5-7-10(8-9)12-13-14-11(2,3)4/h5-8H,1-4H3/b13-12+
InChIKeyBMWHSKIMBOVYLO-OUKQBFOZSA-N
MW208.33 g/mol
LogP4.53
Rot. Bonds2

About tert-butylsulfanyl-(3-methylphenyl)diazene

tert-butylsulfanyl-(3-methylphenyl)diazene (PubChem CID 14973014) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is tert-butylsulfanyl-(3-methylphenyl)diazene.

Molecular Properties

Compound Nametert-butylsulfanyl-(3-methylphenyl)diazene
PubChem CID14973014
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Nametert-butylsulfanyl-(3-methylphenyl)diazene
SMILESCc1cccc(/N=N/SC(C)(C)C)c1
InChIInChI=1S/C11H16N2S/c1-9-6-5-7-10(8-9)12-13-14-11(2,3)4/h5-8H,1-4H3/b13-12+
InChIKeyBMWHSKIMBOVYLO-OUKQBFOZSA-N
XLogP4.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 54.53
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanyl-(3-methylphenyl)diazene?
The IUPAC name of tert-butylsulfanyl-(3-methylphenyl)diazene (CID 14973014) is tert-butylsulfanyl-(3-methylphenyl)diazene.
What is the SMILES notation for tert-butylsulfanyl-(3-methylphenyl)diazene?
The canonical SMILES for tert-butylsulfanyl-(3-methylphenyl)diazene is Cc1cccc(/N=N/SC(C)(C)C)c1.
What is the InChIKey of tert-butylsulfanyl-(3-methylphenyl)diazene?
The InChIKey is BMWHSKIMBOVYLO-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-6-5-7-10(8-9)12-13-14-11(2,3)4/h5-8H,1-4H3/b13-12+.
What are the key properties of tert-butylsulfanyl-(3-methylphenyl)diazene?
tert-butylsulfanyl-(3-methylphenyl)diazene has a molecular weight of 208.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanyl-(3-methylphenyl)diazene is sourced from PubChem (CID 14973014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).