2,5-dichlorothiophene-3-carbohydrazide

C5H4Cl2N2OS — CID 71670587

IUPAC2,5-dichlorothiophene-3-carbohydrazide
SMILESNNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H4Cl2N2OS/c6-3-1-2(4(7)11-3)5(10)9-8/h1H,8H2,(H,9,10)
InChIKeyWVGRHOXSKSEHSX-UHFFFAOYSA-N
MW211.07 g/mol
LogP1.66
Rot. Bonds1

About 2,5-dichlorothiophene-3-carbohydrazide

2,5-dichlorothiophene-3-carbohydrazide (PubChem CID 71670587) has the molecular formula C5H4Cl2N2OS and a molecular weight of 211.07 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-carbohydrazide
PubChem CID71670587
Molecular FormulaC5H4Cl2N2OS
Molecular Weight211.07 g/mol
Exact Mass209.94
IUPAC Name2,5-dichlorothiophene-3-carbohydrazide
SMILESNNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H4Cl2N2OS/c6-3-1-2(4(7)11-3)5(10)9-8/h1H,8H2,(H,9,10)
InChIKeyWVGRHOXSKSEHSX-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorothiophene-3-carbohydrazide?
The IUPAC name of 2,5-dichlorothiophene-3-carbohydrazide (CID 71670587) is 2,5-dichlorothiophene-3-carbohydrazide.
What is the SMILES notation for 2,5-dichlorothiophene-3-carbohydrazide?
The canonical SMILES for 2,5-dichlorothiophene-3-carbohydrazide is NNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-carbohydrazide?
The InChIKey is WVGRHOXSKSEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2OS/c6-3-1-2(4(7)11-3)5(10)9-8/h1H,8H2,(H,9,10).
What are the key properties of 2,5-dichlorothiophene-3-carbohydrazide?
2,5-dichlorothiophene-3-carbohydrazide has a molecular weight of 211.07 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorothiophene-3-carbohydrazide is sourced from PubChem (CID 71670587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).