(4-phenyldiazenylphenyl)thiourea

C13H12N4S — CID 3034152

IUPAC(4-phenyldiazenylphenyl)thiourea
SMILESNC(=S)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N4S/c14-13(18)15-10-6-8-12(9-7-10)17-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,18)/b17-16+
InChIKeyIBTMRNOZYOSFTK-WUKNDPDISA-N
MW256.33 g/mol
LogP3.76
Rot. Bonds3

About (4-phenyldiazenylphenyl)thiourea

(4-phenyldiazenylphenyl)thiourea (PubChem CID 3034152) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is (4-phenyldiazenylphenyl)thiourea.

Molecular Properties

Compound Name(4-phenyldiazenylphenyl)thiourea
PubChem CID3034152
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name(4-phenyldiazenylphenyl)thiourea
SMILESNC(=S)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H12N4S/c14-13(18)15-10-6-8-12(9-7-10)17-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,18)/b17-16+
InChIKeyIBTMRNOZYOSFTK-WUKNDPDISA-N
XLogP3.76
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenyldiazenylphenyl)thiourea?
The IUPAC name of (4-phenyldiazenylphenyl)thiourea (CID 3034152) is (4-phenyldiazenylphenyl)thiourea.
What is the SMILES notation for (4-phenyldiazenylphenyl)thiourea?
The canonical SMILES for (4-phenyldiazenylphenyl)thiourea is NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-phenyldiazenylphenyl)thiourea?
The InChIKey is IBTMRNOZYOSFTK-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12N4S/c14-13(18)15-10-6-8-12(9-7-10)17-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,18)/b17-16+.
What are the key properties of (4-phenyldiazenylphenyl)thiourea?
(4-phenyldiazenylphenyl)thiourea has a molecular weight of 256.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyldiazenylphenyl)thiourea is sourced from PubChem (CID 3034152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).