2,1,3-Benzothiadiazole-5-carbonyl chloride

C7H3ClN2OSCAS 321309-31-3198.62 g/mol

Open in Covalent MOL file
NSNOCl
Acyl halide

Properties

Molecular formula
C7H3ClN2OS
Molar mass
198.62 g/mol
Exact mass
197.9655 Da
logP
2.07Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
321309-31-3
SMILES
C1=CC2=NSN=C2C=C1C(=O)Cl
InChIKey
STVKFABXTFREFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClN2OS/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H

Weigh it out

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Work with 2,1,3-Benzothiadiazole-5-carbonyl 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

2,1,3-Benzoxadiazole-5-carbonyl chloride126147-86-259 % similar 2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-459 % similar Methyl 2,1,3-benzothiadiazole-5-carboxylate175204-21-454 % similar Terephthaloyl chloride100-20-950 % similar 2-Naphthoyl chloride2243-83-650 % similar Isophthaloyl chloride99-63-848 % similar 3,4-Dichlorobenzoyl chloride3024-72-447 % similar 3,4-Dimethylbenzoyl chloride21900-23-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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