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

C11H11ClN2OS — CID 2757502

IUPAC3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide
SMILESCCc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C11H11ClN2OS/c1-2-6-3-4-7-8(5-6)16-10(9(7)12)11(15)14-13/h3-5H,2,13H2,1H3,(H,14,15)
InChIKeyOVGOKWDEFIKZKA-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.72
Rot. Bonds2

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

3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide (PubChem CID 2757502) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide
PubChem CID2757502
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide
SMILESCCc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C11H11ClN2OS/c1-2-6-3-4-7-8(5-6)16-10(9(7)12)11(15)14-13/h3-5H,2,13H2,1H3,(H,14,15)
InChIKeyOVGOKWDEFIKZKA-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.72
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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Related Compounds

3-Chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3,4-Dichloro-1-benzothiophene-2-carbohydrazide
CID 874733
3-Chlorobenzothiophene-2-Carbohydroxamic Acid
CID 801008
3-chloro-N'-(2-methylcyclohexylidene)-1-benzothiophene-2-carbohydrazide
CID 5331386
1-Benzothiophene-2-carbohydrazide
CID 519437
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
N'-(bicyclo[2.2.1]hept-2-ylcarbonyl)-3-chloro-1-benzothiophene-2-carbohydrazide
CID 2836994
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448
N-({2-[(3-chloro-1-benzothien-2-yl)carbonyl]hydrazino}carbonothioyl)-2,2-dimethylpropanamide
CID 2235477
3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarbohydrazide
CID 2767982
3-chloro-N'-cyclopentylidene-1-benzothiophene-2-carbohydrazide
CID 819268
N'-(2-chloro-5-methylsulfanylbenzoyl)thiophene-2-carbohydrazide
CID 4790590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide (CID 2757502) is 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide is CCc1ccc2c(Cl)c(C(=O)NN)sc2c1.
What is the InChIKey of 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is OVGOKWDEFIKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-6-3-4-7-8(5-6)16-10(9(7)12)11(15)14-13/h3-5H,2,13H2,1H3,(H,14,15).
What are the key properties of 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide?
3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 254.74 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 2757502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).