1-(4-methylphenyl)-3-phenylthiourea

C14H14N2S — CID 853904

IUPAC1-(4-methylphenyl)-3-phenylthiourea
SMILESCc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyNZPBFKQKPZEPED-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.80
Rot. Bonds2

About 1-(4-methylphenyl)-3-phenylthiourea

1-(4-methylphenyl)-3-phenylthiourea (PubChem CID 853904) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylthiourea
PubChem CID853904
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-(4-methylphenyl)-3-phenylthiourea
SMILESCc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
InChIKeyNZPBFKQKPZEPED-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenylthiourea?
The IUPAC name of 1-(4-methylphenyl)-3-phenylthiourea (CID 853904) is 1-(4-methylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylthiourea is Cc1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylthiourea?
The InChIKey is NZPBFKQKPZEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methylphenyl)-3-phenylthiourea?
1-(4-methylphenyl)-3-phenylthiourea has a molecular weight of 242.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylthiourea is sourced from PubChem (CID 853904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).