Acibenzolar-S-methyl

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Systematic / IUPAC Name: S-Methyl 1,2,3-benzothiadiazole-7-carbothioate

ID: Reference2986

Other Names: Bion (pesticide);
S-Methyl benzo[1,2,3]thiadiazole-7-carbothioate;
1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester;
1,2,3-Benzothiadiazole-7-carbothiolic acid, S-methyl ester;
1,2,3-Benzothiadiazole-7-carboxlic acid thiomethyl ester ; more

Formula: C8H6N2OS2

Class: Pesticides/Herbicides

Spectral Data

Acibenzolar-S-methyl mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 349
Tandem Spectra MS1, MS2, MS3
Ionization Methods APCI; NSI
Analyzers FT
Last Modification 8/27/2015 5:57:49 AM
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Identificators

InChI InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
InChI Key UELITFHSCLAHKR-UHFFFAOYSA-N
Canonical SMILES CSC(=O)C1=C2C(=CC=C1)N=NS2
CAS 135158542
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Other Names Bion (pesticide);
S-Methyl benzo[1,2,3]thiadiazole-7-carbothioate;
1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester;
1,2,3-Benzothiadiazole-7-carbothiolic acid, S-methyl ester;
1,2,3-Benzothiadiazole-7-carboxlic acid thiomethyl ester;
Benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester;
BTH

In Other Databases

PubChem 86412
ChemIDPlus 135158542
ChEBI CHEBI:73178
ChemSpider 77928
Wikipedia Acibenzolar-S-methyl