3-chlorothiophene-2-carbohydrazide

C5H5ClN2OS — CID 23570764

IUPAC3-chlorothiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cl
InChIInChI=1S/C5H5ClN2OS/c6-3-1-2-10-4(3)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyULKAVMIGFGQYAA-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.00
Rot. Bonds1

About 3-chlorothiophene-2-carbohydrazide

3-chlorothiophene-2-carbohydrazide (PubChem CID 23570764) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 3-chlorothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chlorothiophene-2-carbohydrazide
PubChem CID23570764
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name3-chlorothiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cl
InChIInChI=1S/C5H5ClN2OS/c6-3-1-2-10-4(3)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyULKAVMIGFGQYAA-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.00
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 3-chlorothiophene-2-carbohydrazide?
The IUPAC name of 3-chlorothiophene-2-carbohydrazide (CID 23570764) is 3-chlorothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chlorothiophene-2-carbohydrazide?
The canonical SMILES for 3-chlorothiophene-2-carbohydrazide is NNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chlorothiophene-2-carbohydrazide?
The InChIKey is ULKAVMIGFGQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c6-3-1-2-10-4(3)5(9)8-7/h1-2H,7H2,(H,8,9).
What are the key properties of 3-chlorothiophene-2-carbohydrazide?
3-chlorothiophene-2-carbohydrazide has a molecular weight of 176.63 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothiophene-2-carbohydrazide is sourced from PubChem (CID 23570764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).