1-(4-hydroxyphenyl)-3-phenylthiourea

C13H12N2OS — CID 703638

IUPAC1-(4-hydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)
InChIKeyPWLPSXPCUHUSAT-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.20
Rot. Bonds2

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

1-(4-hydroxyphenyl)-3-phenylthiourea (PubChem CID 703638) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-phenylthiourea
PubChem CID703638
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name1-(4-hydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)
InChIKeyPWLPSXPCUHUSAT-UHFFFAOYSA-N
XLogP3.20
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-phenylthiourea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-phenylthiourea (CID 703638) is 1-(4-hydroxyphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-phenylthiourea is Oc1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-phenylthiourea?
The InChIKey is PWLPSXPCUHUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17).
What are the key properties of 1-(4-hydroxyphenyl)-3-phenylthiourea?
1-(4-hydroxyphenyl)-3-phenylthiourea has a molecular weight of 244.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-phenylthiourea is sourced from PubChem (CID 703638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).