1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

C8H9N3O2S — CID 135771940

IUPAC1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESONC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C8H9N3O2S/c12-7-4-2-1-3-6(7)5-9-10-8(14)11-13/h1-5,12-13H,(H2,10,11,14)/b9-5+
InChIKeyFCFISZRBRHHOBX-WEVVVXLNSA-N
MW211.25 g/mol
LogP0.58
Rot. Bonds2

About 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135771940) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135771940
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESONC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C8H9N3O2S/c12-7-4-2-1-3-6(7)5-9-10-8(14)11-13/h1-5,12-13H,(H2,10,11,14)/b9-5+
InChIKeyFCFISZRBRHHOBX-WEVVVXLNSA-N
XLogP0.58
TPSA76.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (CID 135771940) is 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is ONC(=S)N/N=C/c1ccccc1O.
What is the InChIKey of 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is FCFISZRBRHHOBX-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-7-4-2-1-3-6(7)5-9-10-8(14)11-13/h1-5,12-13H,(H2,10,11,14)/b9-5+.
What are the key properties of 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 211.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135771940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).