chempirical

1,3-Benzothiazole-6-sulfonyl chloride

C7H4ClNO2S2CAS 181124-40-3233.68 g/mol

Open in Covalent MOL file
SOOClSN

Properties

Molecular formula
C7H4ClNO2S2
Molar mass
233.68 g/mol
Exact mass
232.9372 Da
logP
2.22Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 4
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
181124-40-3
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)SC=N2
InChIKey
XQOLJTWXFUSVOR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H

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Work with 1,3-Benzothiazole-6-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

6-Bromo-1,3-benzothiazole53218-26-146 % similar 6-Benzothiazolamine533-30-246 % similar 1,3-Benzenedisulfonyl dichloride585-47-744 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-743 % similar 6-Nitrobenzothiazole2942-06-543 % similar 6-Benzothiazolecarboxylic acid3622-35-343 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-043 % similar 6-Methoxybenzothiazole2942-13-443 % similar

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

Elsewhere

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