3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde

C7H6N2O2S — CID 169408596

IUPAC3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde
SMILESN/N=C/c1cc(C=O)sc1C=O
InChIInChI=1S/C7H6N2O2S/c8-9-2-5-1-6(3-10)12-7(5)4-11/h1-4H,8H2/b9-2+
InChIKeyDWHNLLMFAUFYGK-XNWCZRBMSA-N
MW182.20 g/mol
LogP0.67
Rot. Bonds3

About 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde

3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde (PubChem CID 169408596) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde.

Molecular Properties

Compound Name3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde
PubChem CID169408596
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde
SMILESN/N=C/c1cc(C=O)sc1C=O
InChIInChI=1S/C7H6N2O2S/c8-9-2-5-1-6(3-10)12-7(5)4-11/h1-4H,8H2/b9-2+
InChIKeyDWHNLLMFAUFYGK-XNWCZRBMSA-N
XLogP0.67
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-diformylthiophen-3-yl)boronic acid
CID 71732284
N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 12548165
5-(3-aminoprop-1-enyl)-4-methylthiophene-2-carbaldehyde
CID 169463193
5-methylsulfonylthiophene-2-carbaldehyde
CID 20623963
7-oxo-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarbaldehyde
CID 14939747
(4-bromothiophen-3-yl)methylidenehydrazine
CID 131872108
(E)-(4-bromothiophen-3-yl)methylidenehydrazine
CID 119084662
4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
(4-bromothiophen-2-yl)methylidenehydrazine
CID 20982222
4-chloro-5-cyclopropylthiophene-2-carbaldehyde
CID 84660810
5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde
CID 927627
ethyl 4,5-diformylthiophene-2-carboxylate
CID 122375809

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde?
The IUPAC name of 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde (CID 169408596) is 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde.
What is the SMILES notation for 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde?
The canonical SMILES for 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde is N/N=C/c1cc(C=O)sc1C=O.
What is the InChIKey of 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde?
The InChIKey is DWHNLLMFAUFYGK-XNWCZRBMSA-N. The full InChI is InChI=1S/C7H6N2O2S/c8-9-2-5-1-6(3-10)12-7(5)4-11/h1-4H,8H2/b9-2+.
What are the key properties of 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde?
3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde has a molecular weight of 182.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydrazinylidenemethyl]thiophene-2,5-dicarbaldehyde is sourced from PubChem (CID 169408596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).