[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea

C8H8BrN3OS — CID 135409268

IUPAC[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3OS/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4+
InChIKeyAMZRNDJCSNFEHY-NYYWCZLTSA-N
MW274.14 g/mol
LogP1.32
Rot. Bonds2

About [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea

[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135409268) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135409268
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrN3OS/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4+
InChIKeyAMZRNDJCSNFEHY-NYYWCZLTSA-N
XLogP1.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.32
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 [(E)-(5-bromo-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 [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea (CID 135409268) is [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea is NC(=S)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is AMZRNDJCSNFEHY-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4+.
What are the key properties of [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea?
[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 274.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135409268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).