(4-methylsulfanylphenyl)-phenyldiazene

C13H12N2S — CID 23247472

IUPAC(4-methylsulfanylphenyl)-phenyldiazene
SMILESCSc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2S/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3/b15-14+
InChIKeyMJAJPIANPDEHDT-CCEZHUSRSA-N
MW228.32 g/mol
LogP4.82
Rot. Bonds3

About (4-methylsulfanylphenyl)-phenyldiazene

(4-methylsulfanylphenyl)-phenyldiazene (PubChem CID 23247472) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-phenyldiazene
PubChem CID23247472
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name(4-methylsulfanylphenyl)-phenyldiazene
SMILESCSc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N2S/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3/b15-14+
InChIKeyMJAJPIANPDEHDT-CCEZHUSRSA-N
XLogP4.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.82
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 (4-methylsulfanylphenyl)-phenyldiazene?
The IUPAC name of (4-methylsulfanylphenyl)-phenyldiazene (CID 23247472) is (4-methylsulfanylphenyl)-phenyldiazene.
What is the SMILES notation for (4-methylsulfanylphenyl)-phenyldiazene?
The canonical SMILES for (4-methylsulfanylphenyl)-phenyldiazene is CSc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-phenyldiazene?
The InChIKey is MJAJPIANPDEHDT-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2S/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3/b15-14+.
What are the key properties of (4-methylsulfanylphenyl)-phenyldiazene?
(4-methylsulfanylphenyl)-phenyldiazene has a molecular weight of 228.32 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-phenyldiazene is sourced from PubChem (CID 23247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).