5-hydroxy-1-benzothiophene-2-carbohydrazide

C9H8N2O2S — CID 119094070

IUPAC5-hydroxy-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C9H8N2O2S/c10-11-9(13)8-4-5-3-6(12)1-2-7(5)14-8/h1-4,12H,10H2,(H,11,13)
InChIKeyRXYKLIQYIPIVIY-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.21
Rot. Bonds1

About 5-hydroxy-1-benzothiophene-2-carbohydrazide

5-hydroxy-1-benzothiophene-2-carbohydrazide (PubChem CID 119094070) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-hydroxy-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-hydroxy-1-benzothiophene-2-carbohydrazide
PubChem CID119094070
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-hydroxy-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1cc2cc(O)ccc2s1
InChIInChI=1S/C9H8N2O2S/c10-11-9(13)8-4-5-3-6(12)1-2-7(5)14-8/h1-4,12H,10H2,(H,11,13)
InChIKeyRXYKLIQYIPIVIY-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 5-hydroxy-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 5-hydroxy-1-benzothiophene-2-carbohydrazide (CID 119094070) is 5-hydroxy-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 5-hydroxy-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 5-hydroxy-1-benzothiophene-2-carbohydrazide is NNC(=O)c1cc2cc(O)ccc2s1.
What is the InChIKey of 5-hydroxy-1-benzothiophene-2-carbohydrazide?
The InChIKey is RXYKLIQYIPIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-11-9(13)8-4-5-3-6(12)1-2-7(5)14-8/h1-4,12H,10H2,(H,11,13).
What are the key properties of 5-hydroxy-1-benzothiophene-2-carbohydrazide?
5-hydroxy-1-benzothiophene-2-carbohydrazide has a molecular weight of 208.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 119094070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).