(4-methylphenyl)-(1-propylsulfanylethenyl)diazene

C12H16N2S — CID 130311791

IUPAC(4-methylphenyl)-(1-propylsulfanylethenyl)diazene
SMILESC=C(/N=N/c1ccc(C)cc1)SCCC
InChIInChI=1S/C12H16N2S/c1-4-9-15-11(3)13-14-12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3/b14-13+
InChIKeyGYNWSYSRPYJHLT-BUHFOSPRSA-N
MW220.34 g/mol
LogP4.69
Rot. Bonds5

About (4-methylphenyl)-(1-propylsulfanylethenyl)diazene

(4-methylphenyl)-(1-propylsulfanylethenyl)diazene (PubChem CID 130311791) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (4-methylphenyl)-(1-propylsulfanylethenyl)diazene.

Molecular Properties

Compound Name(4-methylphenyl)-(1-propylsulfanylethenyl)diazene
PubChem CID130311791
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name(4-methylphenyl)-(1-propylsulfanylethenyl)diazene
SMILESC=C(/N=N/c1ccc(C)cc1)SCCC
InChIInChI=1S/C12H16N2S/c1-4-9-15-11(3)13-14-12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3/b14-13+
InChIKeyGYNWSYSRPYJHLT-BUHFOSPRSA-N
XLogP4.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 54.69
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'}

Analyze (4-methylphenyl)-(1-propylsulfanylethenyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-propylsulfanylethenyl)diazene?
The IUPAC name of (4-methylphenyl)-(1-propylsulfanylethenyl)diazene (CID 130311791) is (4-methylphenyl)-(1-propylsulfanylethenyl)diazene.
What is the SMILES notation for (4-methylphenyl)-(1-propylsulfanylethenyl)diazene?
The canonical SMILES for (4-methylphenyl)-(1-propylsulfanylethenyl)diazene is C=C(/N=N/c1ccc(C)cc1)SCCC.
What is the InChIKey of (4-methylphenyl)-(1-propylsulfanylethenyl)diazene?
The InChIKey is GYNWSYSRPYJHLT-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-9-15-11(3)13-14-12-7-5-10(2)6-8-12/h5-8H,3-4,9H2,1-2H3/b14-13+.
What are the key properties of (4-methylphenyl)-(1-propylsulfanylethenyl)diazene?
(4-methylphenyl)-(1-propylsulfanylethenyl)diazene has a molecular weight of 220.34 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-propylsulfanylethenyl)diazene is sourced from PubChem (CID 130311791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).