TCMTB

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Systematic / IUPAC Name: 2-(Thiocyanatomethylthio)benzothiazole

ID: Reference2187

Other Names: Superdavloxan;
Benthiazole;
Alentisan;
Ichiban;
Sancelant TMB ; more

Formula: C9H6N2S3

Class: Pesticides/Herbicides Excipients/Additives/Colorants Textile Chemicals/Auxiliary/Dyes Extractables/Leachables

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 163
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/21/2015 10:49:50 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChI Key TUBQDCKAWGHZPF-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)N=C(S2)SCSC#N
CAS
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Other Names Superdavloxan;
Benthiazole;
Alentisan;
Ichiban;
Sancelant TMB;
Delsan 30;
Busan;
Protector ;
(2-Benzothiazolylthio)methyl thiocyanate;
2-[(Thiocyanatomethyl)thio]benzo[d]thiazole;
(1,3-Benzothiazol-2-ylthio)methyl thiocyanate;
Thiocyanic acid (2-benzothiazolylthio)methyl ester;
1,3-Benzothiazol-2-ylsulfanylmethyl thiocyanate

In Other Databases

ChEMBL CHEMBL1903976
PubChem 30692
ChemSpider 28480
ChemIDPlus 021564170; 091265144