3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide

C10H9ClN2OS — CID 2757667

IUPAC3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C10H9ClN2OS/c1-5-2-3-6-7(4-5)15-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKeyUGHMCPQAYIDWES-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.47
Rot. Bonds1

About 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide

3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 2757667) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID2757667
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C10H9ClN2OS/c1-5-2-3-6-7(4-5)15-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKeyUGHMCPQAYIDWES-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.47
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'}

Analyze 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide 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 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide (CID 2757667) is 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide is Cc1ccc2c(Cl)c(C(=O)NN)sc2c1.
What is the InChIKey of 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is UGHMCPQAYIDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-5-2-3-6-7(4-5)15-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide?
3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 240.72 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 2757667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).