2,5-dichlorothiophene-3-carbohydrazide;hydrochloride

C5H5Cl3N2OS — CID 142496820

IUPAC2,5-dichlorothiophene-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H4Cl2N2OS.ClH/c6-3-1-2(4(7)11-3)5(10)9-8;/h1H,8H2,(H,9,10);1H
InChIKeyJVLFFZYJWCDNSA-UHFFFAOYSA-N
MW247.53 g/mol
LogP2.08
Rot. Bonds1

About 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride

2,5-dichlorothiophene-3-carbohydrazide;hydrochloride (PubChem CID 142496820) has the molecular formula C5H5Cl3N2OS and a molecular weight of 247.53 g/mol. Its IUPAC name is 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2,5-dichlorothiophene-3-carbohydrazide;hydrochloride
PubChem CID142496820
Molecular FormulaC5H5Cl3N2OS
Molecular Weight247.53 g/mol
Exact Mass245.92
IUPAC Name2,5-dichlorothiophene-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C5H4Cl2N2OS.ClH/c6-3-1-2(4(7)11-3)5(10)9-8;/h1H,8H2,(H,9,10);1H
InChIKeyJVLFFZYJWCDNSA-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.53
LogP ≤ 52.08
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;hydrochloride?
The IUPAC name of 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride (CID 142496820) is 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride.
What is the SMILES notation for 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride?
The canonical SMILES for 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride is Cl.NNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride?
The InChIKey is JVLFFZYJWCDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2OS.ClH/c6-3-1-2(4(7)11-3)5(10)9-8;/h1H,8H2,(H,9,10);1H.
What are the key properties of 2,5-dichlorothiophene-3-carbohydrazide;hydrochloride?
2,5-dichlorothiophene-3-carbohydrazide;hydrochloride has a molecular weight of 247.53 g/mol, XLogP of 2.08, 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;hydrochloride is sourced from PubChem (CID 142496820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).