2,3-dihydro-1-benzothiophene-2-carbohydrazide

C9H10N2OS — CID 43091275

IUPAC2,3-dihydro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C9H10N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-4,8H,5,10H2,(H,11,12)
InChIKeyHBIDPMHKVYYSJD-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.69
Rot. Bonds1

About 2,3-dihydro-1-benzothiophene-2-carbohydrazide

2,3-dihydro-1-benzothiophene-2-carbohydrazide (PubChem CID 43091275) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophene-2-carbohydrazide
PubChem CID43091275
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2,3-dihydro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C9H10N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-4,8H,5,10H2,(H,11,12)
InChIKeyHBIDPMHKVYYSJD-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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CID 227330
2-(4-Methylsulfanylphenyl)acetohydrazide
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2-Phenyl-2-(phenylthio)acetohydrazide
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N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-phenylacetohydrazide
CID 7969870
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide
CID 7969874
2-cyclopentyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969898
3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428845
2-(4-fluorophenyl)-N'-[2-(2-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9524501
2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 26656658
N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide
CID 30498968

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 2,3-dihydro-1-benzothiophene-2-carbohydrazide (CID 43091275) is 2,3-dihydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 2,3-dihydro-1-benzothiophene-2-carbohydrazide is NNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is HBIDPMHKVYYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-4,8H,5,10H2,(H,11,12).
What are the key properties of 2,3-dihydro-1-benzothiophene-2-carbohydrazide?
2,3-dihydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 194.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 43091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).