chempirical

1-Benzothiophene-2-sulfonyl chloride

C8H5ClO2S2CAS 90001-64-2232.70 g/mol

Open in Covalent MOL file
SSOOCl

Properties

Molecular formula
C8H5ClO2S2
Molar mass
232.70 g/mol
Exact mass
231.9419 Da
logP
2.83Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 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
90001-64-2
SMILES
C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)Cl
InChIKey
FKIIVBOPAHICHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H

Weigh it out

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Work with 1-Benzothiophene-2-sulfonyl chloride

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

2-Naphthalenesulfonyl chloride93-11-846 % similar 2,3-Dichlorothiophene-5-sulphonyl chloride126714-85-044 % similar 2-Thiophenesulfonyl chloride16629-19-944 % similar 4,5-Dibromothiophene-2-sulfonyl chloride81606-31-743 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-743 % similar Benzo[B]thiophene-2-carbonyl chloride39827-11-742 % similar 1,2-Benzenedisulfonyl dichloride6461-76-342 % similar 1-Benzothiophene-2-carbaldehyde3541-37-542 % similar

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

Same formula

Benzo[b]thiophene-3-sulfonyl chloride18494-87-6

Elsewhere

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