3-formylthiophene-2-carbohydrazide

C6H6N2O2S — CID 90937110

IUPAC3-formylthiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1C=O
InChIInChI=1S/C6H6N2O2S/c7-8-6(10)5-4(3-9)1-2-11-5/h1-3H,7H2,(H,8,10)
InChIKeyQWZGLNOBPIEOLI-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.16
Rot. Bonds2

About 3-formylthiophene-2-carbohydrazide

3-formylthiophene-2-carbohydrazide (PubChem CID 90937110) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-formylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-formylthiophene-2-carbohydrazide
PubChem CID90937110
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name3-formylthiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1C=O
InChIInChI=1S/C6H6N2O2S/c7-8-6(10)5-4(3-9)1-2-11-5/h1-3H,7H2,(H,8,10)
InChIKeyQWZGLNOBPIEOLI-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formylthiophene-2-carbohydrazide?
The IUPAC name of 3-formylthiophene-2-carbohydrazide (CID 90937110) is 3-formylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-formylthiophene-2-carbohydrazide?
The canonical SMILES for 3-formylthiophene-2-carbohydrazide is NNC(=O)c1sccc1C=O.
What is the InChIKey of 3-formylthiophene-2-carbohydrazide?
The InChIKey is QWZGLNOBPIEOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-8-6(10)5-4(3-9)1-2-11-5/h1-3H,7H2,(H,8,10).
What are the key properties of 3-formylthiophene-2-carbohydrazide?
3-formylthiophene-2-carbohydrazide has a molecular weight of 170.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylthiophene-2-carbohydrazide is sourced from PubChem (CID 90937110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).