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

C10H13N3OS — CID 135502775

IUPAC1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESCCNC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C10H13N3OS/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+
InChIKeyPQOOQEGYZITVNT-KPKJPENVSA-N
MW223.30 g/mol
LogP1.21
Rot. Bonds3

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

1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135502775) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135502775
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESCCNC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C10H13N3OS/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+
InChIKeyPQOOQEGYZITVNT-KPKJPENVSA-N
XLogP1.21
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.21
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'}

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Related Compounds

Salicylaldehyde Thiosemicarbazone
CID 135423926
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
4-Hydroxybenzaldehyde thiosemicarbazone
CID 135408731
N1-Phenethyl-2-(2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472960
N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-1-hydrazinecarbothioamide
CID 135488769
N1-(3-methoxypropyl)-2-(4-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520591
[[(E)-[5-[(carbamothioylhydrazinylidene)methyl]-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]amino]thiourea
CID 135549494
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
2-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 135676207
N1-neopentyl-2-[1-(3,5-difluoro-2-hydroxyphenyl)ethylidene]hydrazine-1-carbothioamide
CID 135445538
N1-bicyclo[2.2.1]hept-2-yl-2-(2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520593

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (CID 135502775) is 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is CCNC(=S)N/N=C/c1ccccc1O.
What is the InChIKey of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is PQOOQEGYZITVNT-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-11-10(15)13-12-7-8-5-3-4-6-9(8)14/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+.
What are the key properties of 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 223.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135502775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).