Methyl 2,1,3-benzothiadiazole-5-carboxylate

C₈H₆N₂O₂SCAS 175204-21-4194.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂O₂S
Molar mass: 194.21 g/mol
Exact mass: 194.0150 Da
logP: 1.48Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

175204-21-4

SMILES

COC(=O)c1ccc2nsnc2c1

InChIKey

LRMFSMKHXKDUDG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-6-7(4-5)10-13-9-6/h2-4H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,1,3-Benzothiadiazole-5-carboxylic acid, methyl ester

Work with Methyl 2,1,3-benzothiadiazole-5-carboxylate

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

Same formula

(4-Nitrophenyl)methyl thiocyanate13287-49-5 2-Amino-6-benzothiazolecarboxylic acid93-85-6

Elsewhere

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