chempirical

3-Chloro-1-benzothiophene-2-carbohydrazide

C9H7ClN2OSCAS 62524-21-4226.68 g/mol

Open in Covalent MOL file
SOHNNH2Cl
AmideAryl halidePrimary amine

Properties

Molecular formula
C9H7ClN2OS
Molar mass
226.68 g/mol
Exact mass
225.9968 Da
logP
2.16Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62524-21-4
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NN)Cl
InChIKey
HSEDHPBSCKIDQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)

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Names and synonyms

1 names
  • 3-Chloro-benzo[B]thiophene-2-carboxylic acid hydrazide

Work with 3-Chloro-1-benzothiophene-2-carbohydrazide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chlorobenzo(b)thiophene-2-carbonyl chloride21815-91-859 % similar 3-Chlorobenzo[b]thiophene-2-carboxylic acid21211-22-357 % similar Methyl 3-chlorobenzo[B]thiophene-2-carboxylate21211-07-453 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-843 % similar 4-Chlorobenzoic acid hydrazide536-40-339 % similar p-Phenylbenzoic acid hydrazide18622-23-638 % similar Thiophene-2-carbohydrazide2361-27-538 % similar 2-Fluorobenzhydrazide446-24-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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