4-ethyl-1,2,3-benzothiadiazole

C8H8N2S — CID 57153328

IUPAC4-ethyl-1,2,3-benzothiadiazole
SMILESCCc1cccc2snnc12
InChIInChI=1S/C8H8N2S/c1-2-6-4-3-5-7-8(6)9-10-11-7/h3-5H,2H2,1H3
InChIKeyLXFJLHGJFKWEMY-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.25
Rot. Bonds1

About 4-ethyl-1,2,3-benzothiadiazole

4-ethyl-1,2,3-benzothiadiazole (PubChem CID 57153328) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-ethyl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4-ethyl-1,2,3-benzothiadiazole
PubChem CID57153328
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-ethyl-1,2,3-benzothiadiazole
SMILESCCc1cccc2snnc12
InChIInChI=1S/C8H8N2S/c1-2-6-4-3-5-7-8(6)9-10-11-7/h3-5H,2H2,1H3
InChIKeyLXFJLHGJFKWEMY-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1,2,3-benzothiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3-benzothiadiazole?
The IUPAC name of 4-ethyl-1,2,3-benzothiadiazole (CID 57153328) is 4-ethyl-1,2,3-benzothiadiazole.
What is the SMILES notation for 4-ethyl-1,2,3-benzothiadiazole?
The canonical SMILES for 4-ethyl-1,2,3-benzothiadiazole is CCc1cccc2snnc12.
What is the InChIKey of 4-ethyl-1,2,3-benzothiadiazole?
The InChIKey is LXFJLHGJFKWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-2-6-4-3-5-7-8(6)9-10-11-7/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-1,2,3-benzothiadiazole?
4-ethyl-1,2,3-benzothiadiazole has a molecular weight of 164.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,3-benzothiadiazole is sourced from PubChem (CID 57153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).