(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide

C11H9BrN2S — CID 177389050

IUPAC(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
SMILESBr/C(=N\Nc1ccccc1)c1cccs1
InChIInChI=1S/C11H9BrN2S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8,13H/b14-11-
InChIKeyCODBBBJTUAIKMH-KAMYIIQDSA-N
MW281.18 g/mol
LogP3.92
Rot. Bonds3

About (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide

(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide (PubChem CID 177389050) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide.

Molecular Properties

Compound Name(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
PubChem CID177389050
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
SMILESBr/C(=N\Nc1ccccc1)c1cccs1
InChIInChI=1S/C11H9BrN2S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8,13H/b14-11-
InChIKeyCODBBBJTUAIKMH-KAMYIIQDSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 86752186
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
[amino(thiophen-2-yl)methylidene]-phenylazanium
CID 149131478
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
2-[bromo(triphenyl)-λ5-arsanyl]-1-thiophen-2-ylethanone
CID 141231280
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide?
The IUPAC name of (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide (CID 177389050) is (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide.
What is the SMILES notation for (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide?
The canonical SMILES for (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide is Br/C(=N\Nc1ccccc1)c1cccs1.
What is the InChIKey of (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide?
The InChIKey is CODBBBJTUAIKMH-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-11(10-7-4-8-15-10)14-13-9-5-2-1-3-6-9/h1-8,13H/b14-11-.
What are the key properties of (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide?
(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide has a molecular weight of 281.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide is sourced from PubChem (CID 177389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).