1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea

C19H15BrN4S — CID 5048508

IUPAC1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
SMILESS=C(Nc1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15BrN4S/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+
InChIKeyZVAGWMFGKKMNAU-WCWDXBQESA-N
MW411.33 g/mol
LogP6.67
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea

1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea (PubChem CID 5048508) has the molecular formula C19H15BrN4S and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
PubChem CID5048508
Molecular FormulaC19H15BrN4S
Molecular Weight411.33 g/mol
Exact Mass410.02
IUPAC Name1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
SMILESS=C(Nc1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15BrN4S/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+
InChIKeyZVAGWMFGKKMNAU-WCWDXBQESA-N
XLogP6.67
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.67
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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Related Compounds

copper;bis(4-bromobenzoate);1,3-diphenylthiourea
CID 173358818
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
1-(2-methoxy-5-methylphenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 17299667
1-phenyl-3-(2,4,6-tribromophenyl)thiourea
CID 116507220
1-amino-3-(4-bromophenyl)thiourea
CID 2735617
1-(4-bromophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 3652631
1-[(4-bromophenyl)methyl]-3-phenylthiourea
CID 19057847
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea (CID 5048508) is 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea is S=C(Nc1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea?
The InChIKey is ZVAGWMFGKKMNAU-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15BrN4S/c20-14-6-8-15(9-7-14)21-19(25)22-16-10-12-18(13-11-16)24-23-17-4-2-1-3-5-17/h1-13H,(H2,21,22,25)/b24-23+.
What are the key properties of 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea?
1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea has a molecular weight of 411.33 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea is sourced from PubChem (CID 5048508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).