1-benzyl-3-(3-hydroxyphenyl)thiourea

C14H14N2OS — CID 23796108

IUPAC1-benzyl-3-(3-hydroxyphenyl)thiourea
SMILESOc1cccc(NC(=S)NCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c17-13-8-4-7-12(9-13)16-14(18)15-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H2,15,16,18)
InChIKeyWLFQFBJPGFSAAT-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.88
Rot. Bonds3

About 1-benzyl-3-(3-hydroxyphenyl)thiourea

1-benzyl-3-(3-hydroxyphenyl)thiourea (PubChem CID 23796108) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-benzyl-3-(3-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(3-hydroxyphenyl)thiourea
PubChem CID23796108
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-benzyl-3-(3-hydroxyphenyl)thiourea
SMILESOc1cccc(NC(=S)NCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c17-13-8-4-7-12(9-13)16-14(18)15-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H2,15,16,18)
InChIKeyWLFQFBJPGFSAAT-UHFFFAOYSA-N
XLogP2.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(3-hydroxyphenyl)thiourea 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 1-benzyl-3-(3-hydroxyphenyl)thiourea?
The IUPAC name of 1-benzyl-3-(3-hydroxyphenyl)thiourea (CID 23796108) is 1-benzyl-3-(3-hydroxyphenyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(3-hydroxyphenyl)thiourea?
The canonical SMILES for 1-benzyl-3-(3-hydroxyphenyl)thiourea is Oc1cccc(NC(=S)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(3-hydroxyphenyl)thiourea?
The InChIKey is WLFQFBJPGFSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-13-8-4-7-12(9-13)16-14(18)15-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H2,15,16,18).
What are the key properties of 1-benzyl-3-(3-hydroxyphenyl)thiourea?
1-benzyl-3-(3-hydroxyphenyl)thiourea has a molecular weight of 258.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-hydroxyphenyl)thiourea is sourced from PubChem (CID 23796108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).