[(2-hydroxyphenyl)methylideneamino]thiourea

C8H9N3OS — CID 727917

IUPAC[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccccc1O
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)
InChIKeyOHNSRYBTSVDDKA-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.56
Rot. Bonds2

About [(2-hydroxyphenyl)methylideneamino]thiourea

[(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 727917) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID727917
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[(2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccccc1O
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)
InChIKeyOHNSRYBTSVDDKA-UHFFFAOYSA-N
XLogP0.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(2-hydroxyphenyl)methylideneamino]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 [(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(2-hydroxyphenyl)methylideneamino]thiourea (CID 727917) is [(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(2-hydroxyphenyl)methylideneamino]thiourea is NC(=S)NN=Cc1ccccc1O.
What is the InChIKey of [(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is OHNSRYBTSVDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13).
What are the key properties of [(2-hydroxyphenyl)methylideneamino]thiourea?
[(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 195.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 727917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).