propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate

C11H15N3OS — CID 135512346

IUPACpropyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate
SMILESCCCS/C(N)=N/N=C/c1ccccc1O
InChIInChI=1S/C11H15N3OS/c1-2-7-16-11(12)14-13-8-9-5-3-4-6-10(9)15/h3-6,8,15H,2,7H2,1H3,(H2,12,14)/b13-8+
InChIKeyQJGMILPVXAJMAR-MDWZMJQESA-N
MW237.33 g/mol
LogP2.18
Rot. Bonds4

About propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate

propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate (PubChem CID 135512346) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate.

Molecular Properties

Compound Namepropyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate
PubChem CID135512346
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Namepropyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate
SMILESCCCS/C(N)=N/N=C/c1ccccc1O
InChIInChI=1S/C11H15N3OS/c1-2-7-16-11(12)14-13-8-9-5-3-4-6-10(9)15/h3-6,8,15H,2,7H2,1H3,(H2,12,14)/b13-8+
InChIKeyQJGMILPVXAJMAR-MDWZMJQESA-N
XLogP2.18
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Salicylaldehyde Thiosemicarbazone
CID 135423926
Salicylaldehyde hydrazone
CID 135484217
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
(2E)-2-[(E)-(5-fluoro-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066070
Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CID 135545742
2-Hydroxybenzaldehyde thiosemicarbazone
CID 727917
2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 135819633
(E)-methyl 2-(2-hydroxy-5-methylbenzylidene)hydrazinecarbimidothioate
CID 135515674
Hydrazinecarboximidamide, N(or 2)-((2-hydroxyphenyl)methylene)-
CID 135460245
Benzaldehyde, 2-hydroxy-, hydrazone
CID 102390
1-hydroxy-2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 135486206
Salicylaldehyde imine
CID 260739

Frequently Asked Questions

What is the IUPAC name of propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The IUPAC name of propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate (CID 135512346) is propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate.
What is the SMILES notation for propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The canonical SMILES for propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate is CCCS/C(N)=N/N=C/c1ccccc1O.
What is the InChIKey of propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
The InChIKey is QJGMILPVXAJMAR-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-7-16-11(12)14-13-8-9-5-3-4-6-10(9)15/h3-6,8,15H,2,7H2,1H3,(H2,12,14)/b13-8+.
What are the key properties of propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate?
propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate has a molecular weight of 237.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N'-[(E)-(2-hydroxyphenyl)methylideneamino]carbamimidothioate is sourced from PubChem (CID 135512346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).