[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea

C8H7Cl2N3OS — CID 135472458

IUPAC[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2N3OS/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3+
InChIKeyJEYQVOZWSMPXNM-KGVSQERTSA-N
MW264.14 g/mol
LogP1.87
Rot. Bonds2

About [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea

[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135472458) has the molecular formula C8H7Cl2N3OS and a molecular weight of 264.14 g/mol. Its IUPAC name is [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135472458
Molecular FormulaC8H7Cl2N3OS
Molecular Weight264.14 g/mol
Exact Mass262.97
IUPAC Name[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H7Cl2N3OS/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3+
InChIKeyJEYQVOZWSMPXNM-KGVSQERTSA-N
XLogP1.87
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.87
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)-(3,5-dichloro-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

Related Compounds

2-[1-(3,5-Dichloro-2-hydroxyphenyl)ethylidene]-1-hydrazinecarboxamide
CID 135520619
N1-(tert-butyl)-2-(3,5-dichloro-2-hydroxybenzylidene)-1-methylhydrazine-1-carbothioamide
CID 135445518
5-Chloro-2-hydroxybenzaldehyde thiosemicarbazone
CID 135445342
4-Chloro-2-(((5-mercapto-1,3,4-thiadiazol-2-yl)imino)methyl)phenol (6)
CID 137138790
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
1-cyclopentyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135445516
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dimethylpropyl)thiourea
CID 135445523
1-tert-butyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135452580
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4,6-dichloro-phenol
CID 135537508
1-cyclohexyl-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea
CID 135616085
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N1-Ethyl-2-(3,5-dichloro-2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472962

Frequently Asked Questions

What is the IUPAC name of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea (CID 135472458) is [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea is NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is JEYQVOZWSMPXNM-KGVSQERTSA-N. The full InChI is InChI=1S/C8H7Cl2N3OS/c9-5-1-4(3-12-13-8(11)15)7(14)6(10)2-5/h1-3,14H,(H3,11,13,15)/b12-3+.
What are the key properties of [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea?
[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 264.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135472458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).