1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

C₁₅H₁₅N₃OS — CID 916423

About 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea

1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (PubChem CID 916423) has the molecular formula C₁₅H₁₅N₃OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.

Molecular Properties

• Compound Name: 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
• PubChem CID: 916423
• Molecular Formula: C₁₅H₁₅N₃OS
• Molecular Weight: 285.37 g/mol
• Exact Mass: 285.09
• IUPAC Name: 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
• SMILES: Cc1ccc(NC(=S)NN=Cc2ccc(O)cc2)cc1
• InChI: InChI=1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20)
• InChIKey: ZFTGSQDGEHIOBY-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 56.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.37
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?

The IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea (CID 916423) is 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea.

What is the SMILES notation for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?

The canonical SMILES for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NN=Cc2ccc(O)cc2)cc1.

What is the InChIKey of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?

The InChIKey is ZFTGSQDGEHIOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-2-6-13(7-3-11)17-15(20)18-16-10-12-4-8-14(19)9-5-12/h2-10,19H,1H3,(H2,17,18,20).

What are the key properties of 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea?

1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea has a molecular weight of 285.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 916423 — identifiers, structure, computed properties (public domain)

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