[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea

C15H15N3S — CID 15722900

IUPAC[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea
SMILESCc1ccc(/C(=N/NC(N)=S)c2ccccc2)cc1
InChIInChI=1S/C15H15N3S/c1-11-7-9-13(10-8-11)14(17-18-15(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H3,16,18,19)/b17-14+
InChIKeyDZOZYORQEZEOCT-SAPNQHFASA-N
MW269.37 g/mol
LogP2.58
Rot. Bonds3

About [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea

[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea (PubChem CID 15722900) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea.

Molecular Properties

Compound Name[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea
PubChem CID15722900
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea
SMILESCc1ccc(/C(=N/NC(N)=S)c2ccccc2)cc1
InChIInChI=1S/C15H15N3S/c1-11-7-9-13(10-8-11)14(17-18-15(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H3,16,18,19)/b17-14+
InChIKeyDZOZYORQEZEOCT-SAPNQHFASA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea?
The IUPAC name of [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea (CID 15722900) is [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea.
What is the SMILES notation for [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea?
The canonical SMILES for [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea is Cc1ccc(/C(=N/NC(N)=S)c2ccccc2)cc1.
What is the InChIKey of [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea?
The InChIKey is DZOZYORQEZEOCT-SAPNQHFASA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-7-9-13(10-8-11)14(17-18-15(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H3,16,18,19)/b17-14+.
What are the key properties of [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea?
[(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea has a molecular weight of 269.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(4-methylphenyl)-phenylmethylidene]amino]thiourea is sourced from PubChem (CID 15722900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).