3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide

C13H11Cl3N2OS — CID 47365771

IUPAC3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
SMILESCCc1ccsc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2OS/c1-2-7-3-4-20-12(7)13(19)18-17-11-9(15)5-8(14)6-10(11)16/h3-6,17H,2H2,1H3,(H,18,19)
InChIKeyVMMWEFGGQSPJDL-UHFFFAOYSA-N
MW349.67 g/mol
LogP5.03
Rot. Bonds4

About 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide

3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide (PubChem CID 47365771) has the molecular formula C13H11Cl3N2OS and a molecular weight of 349.67 g/mol. Its IUPAC name is 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
PubChem CID47365771
Molecular FormulaC13H11Cl3N2OS
Molecular Weight349.67 g/mol
Exact Mass347.97
IUPAC Name3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide
SMILESCCc1ccsc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2OS/c1-2-7-3-4-20-12(7)13(19)18-17-11-9(15)5-8(14)6-10(11)16/h3-6,17H,2H2,1H3,(H,18,19)
InChIKeyVMMWEFGGQSPJDL-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.67
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide (CID 47365771) is 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide is CCc1ccsc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide?
The InChIKey is VMMWEFGGQSPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2OS/c1-2-7-3-4-20-12(7)13(19)18-17-11-9(15)5-8(14)6-10(11)16/h3-6,17H,2H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide?
3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide has a molecular weight of 349.67 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-(2,4,6-trichlorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 47365771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).