(4-hydroxyphenyl)iminothiourea

C7H7N3OS — CID 4243942

IUPAC(4-hydroxyphenyl)iminothiourea
SMILESNC(=S)/N=N/c1ccc(O)cc1
InChIInChI=1S/C7H7N3OS/c8-7(12)10-9-5-1-3-6(11)4-2-5/h1-4,11H,(H2,8,12)/b10-9+
InChIKeyYNRDWJDYBGDMRB-MDZDMXLPSA-N
MW181.22 g/mol
LogP1.72
Rot. Bonds1

About (4-hydroxyphenyl)iminothiourea

(4-hydroxyphenyl)iminothiourea (PubChem CID 4243942) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is (4-hydroxyphenyl)iminothiourea.

Molecular Properties

Compound Name(4-hydroxyphenyl)iminothiourea
PubChem CID4243942
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name(4-hydroxyphenyl)iminothiourea
SMILESNC(=S)/N=N/c1ccc(O)cc1
InChIInChI=1S/C7H7N3OS/c8-7(12)10-9-5-1-3-6(11)4-2-5/h1-4,11H,(H2,8,12)/b10-9+
InChIKeyYNRDWJDYBGDMRB-MDZDMXLPSA-N
XLogP1.72
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.72
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'}

Analyze (4-hydroxyphenyl)iminothiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)iminothiourea?
The IUPAC name of (4-hydroxyphenyl)iminothiourea (CID 4243942) is (4-hydroxyphenyl)iminothiourea.
What is the SMILES notation for (4-hydroxyphenyl)iminothiourea?
The canonical SMILES for (4-hydroxyphenyl)iminothiourea is NC(=S)/N=N/c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)iminothiourea?
The InChIKey is YNRDWJDYBGDMRB-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H7N3OS/c8-7(12)10-9-5-1-3-6(11)4-2-5/h1-4,11H,(H2,8,12)/b10-9+.
What are the key properties of (4-hydroxyphenyl)iminothiourea?
(4-hydroxyphenyl)iminothiourea has a molecular weight of 181.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)iminothiourea is sourced from PubChem (CID 4243942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).