(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene

C13H11ClN2S — CID 134093287

IUPAC(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene
SMILESCc1ccc(S/N=N/c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2S/c1-10-6-8-11(9-7-10)17-16-15-13-5-3-2-4-12(13)14/h2-9H,1H3/b16-15+
InChIKeyYYXPPJYFRLKQHL-FOCLMDBBSA-N
MW262.77 g/mol
LogP5.44
Rot. Bonds3

About (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene

(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene (PubChem CID 134093287) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene
PubChem CID134093287
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene
SMILESCc1ccc(S/N=N/c2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClN2S/c1-10-6-8-11(9-7-10)17-16-15-13-5-3-2-4-12(13)14/h2-9H,1H3/b16-15+
InChIKeyYYXPPJYFRLKQHL-FOCLMDBBSA-N
XLogP5.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.77
LogP ≤ 55.44
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 (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene?
The IUPAC name of (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene (CID 134093287) is (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene.
What is the SMILES notation for (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene?
The canonical SMILES for (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene is Cc1ccc(S/N=N/c2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene?
The InChIKey is YYXPPJYFRLKQHL-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-10-6-8-11(9-7-10)17-16-15-13-5-3-2-4-12(13)14/h2-9H,1H3/b16-15+.
What are the key properties of (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene?
(2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene has a molecular weight of 262.77 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methylphenyl)sulfanyldiazene is sourced from PubChem (CID 134093287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).