4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid

C12H10N2O2S — CID 9013174

IUPAC4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C\c2ccsc2)cc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)10-1-3-11(4-2-10)14-13-7-9-5-6-17-8-9/h1-8,14H,(H,15,16)/b13-7-
InChIKeyBVHJXKPJEOWDIR-QPEQYQDCSA-N
MW246.29 g/mol
LogP2.89
Rot. Bonds4

About 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid

4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 9013174) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID9013174
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C\c2ccsc2)cc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)10-1-3-11(4-2-10)14-13-7-9-5-6-17-8-9/h1-8,14H,(H,15,16)/b13-7-
InChIKeyBVHJXKPJEOWDIR-QPEQYQDCSA-N
XLogP2.89
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 5042839
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 59021908
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
CID 5155397
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
4-[(2Z)-2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 9012968

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid (CID 9013174) is 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(N/N=C\c2ccsc2)cc1.
What is the InChIKey of 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is BVHJXKPJEOWDIR-QPEQYQDCSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12(16)10-1-3-11(4-2-10)14-13-7-9-5-6-17-8-9/h1-8,14H,(H,15,16)/b13-7-.
What are the key properties of 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid?
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 246.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 9013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).