[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene

C15H16N2S — CID 20746559

IUPAC[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene
SMILES[H]/N=N/c1cc(C)c(Sc2cccc(C)c2)cc1C
InChIInChI=1S/C15H16N2S/c1-10-5-4-6-13(7-10)18-15-9-11(2)14(17-16)8-12(15)3/h4-9,16H,1-3H3/b17-16+
InChIKeyKIEPSWGPFGFKKD-WUKNDPDISA-N
MW256.37 g/mol
LogP5.43
Rot. Bonds3

About [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene

[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene (PubChem CID 20746559) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene.

Molecular Properties

Compound Name[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene
PubChem CID20746559
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene
SMILES[H]/N=N/c1cc(C)c(Sc2cccc(C)c2)cc1C
InChIInChI=1S/C15H16N2S/c1-10-5-4-6-13(7-10)18-15-9-11(2)14(17-16)8-12(15)3/h4-9,16H,1-3H3/b17-16+
InChIKeyKIEPSWGPFGFKKD-WUKNDPDISA-N
XLogP5.43
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.37
LogP ≤ 55.43
H-Bond Donors ≤ 51
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 [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene?
The IUPAC name of [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene (CID 20746559) is [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene.
What is the SMILES notation for [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene?
The canonical SMILES for [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene is [H]/N=N/c1cc(C)c(Sc2cccc(C)c2)cc1C.
What is the InChIKey of [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene?
The InChIKey is KIEPSWGPFGFKKD-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N2S/c1-10-5-4-6-13(7-10)18-15-9-11(2)14(17-16)8-12(15)3/h4-9,16H,1-3H3/b17-16+.
What are the key properties of [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene?
[2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene has a molecular weight of 256.37 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(3-methylphenyl)sulfanylphenyl]diazene is sourced from PubChem (CID 20746559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).