1-(2,4-dihydroxyphenyl)-3-phenylthiourea

C13H12N2O2S — CID 87654252

IUPAC1-(2,4-dihydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(NC(=S)Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H12N2O2S/c16-10-6-7-11(12(17)8-10)15-13(18)14-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15,18)
InChIKeyZJZRCPXJDHACMY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.91
Rot. Bonds2

About 1-(2,4-dihydroxyphenyl)-3-phenylthiourea

1-(2,4-dihydroxyphenyl)-3-phenylthiourea (PubChem CID 87654252) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-phenylthiourea
PubChem CID87654252
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name1-(2,4-dihydroxyphenyl)-3-phenylthiourea
SMILESOc1ccc(NC(=S)Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H12N2O2S/c16-10-6-7-11(12(17)8-10)15-13(18)14-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15,18)
InChIKeyZJZRCPXJDHACMY-UHFFFAOYSA-N
XLogP2.91
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dihydroxyphenyl)-3-phenylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
1-(3-chloro-2-hydroxyphenyl)-3-phenylthiourea
CID 87654984
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
4-(benzylamino)benzene-1,3-diol
CID 21321415
1-(2,5-difluorophenyl)-3-phenylthiourea
CID 17263148
1-[2-(hydroxymethyl)-4-methylphenyl]-3-phenylthiourea
CID 177492401
2-hydroxy-4-(phenylcarbamothioylamino)benzoic acid
CID 670881
1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
CID 127075804
1-phenyl-3-(2,4,6-tribromophenyl)thiourea
CID 116507220
1-(2-methylsulfanylphenyl)-3-phenylthiourea
CID 17281496
1-naphthalen-1-yl-3-phenylthiourea
CID 828128

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-phenylthiourea?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-phenylthiourea (CID 87654252) is 1-(2,4-dihydroxyphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-phenylthiourea is Oc1ccc(NC(=S)Nc2ccccc2)c(O)c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-phenylthiourea?
The InChIKey is ZJZRCPXJDHACMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-10-6-7-11(12(17)8-10)15-13(18)14-9-4-2-1-3-5-9/h1-8,16-17H,(H2,14,15,18).
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-phenylthiourea?
1-(2,4-dihydroxyphenyl)-3-phenylthiourea has a molecular weight of 260.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-phenylthiourea is sourced from PubChem (CID 87654252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).