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Thiocyanic acid, (2-benzothiazolylthio)methyl ester
SpectraBase Compound ID DDwr7ARpmEY
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChIKey TUBQDCKAWGHZPF-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C9H6N2S3
Exact Mass 237.969312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OBlEo7cPLW
Name Thiocyanic acid, (2-benzothiazolylthio)methyl ester
Alternate Name(s) (1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate (2-Benzothiazolylthio)methyl thiocyanate (benzothiazol-2-ylthio)methyl thiocyanate 2-(Thiocyanomethylthio)benzothiazole 2-Tiocianometiltiobenzotiazolo 2-[(Thiocyanatomethyl)thio]benzothiazole Alentisan Benthiazole Benzothiazole, 2-((thiocyanatomethyl)thio)- BUSAN Busan 15 Busan 30 Busan 30-1 Busan 30A Busan 30I Busan 44 Busan 70 Busan 71 Busan 72 Busan 72A Delsan 30 Ichiban Protector 3L Sancelant TMB Superdavloxan TCMTB thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester AI3-29396-X (USDA) BRN 1213014 BUSAN 1030 CASWELL NO. 853A EINECS 244-445-0 EPA PESTICIDE CHEMICAL CODE 035603 HSDB 6450 KVK 733059
CAS Registry Number 21564-17-0
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Formula C9H6N2S3
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChIKey TUBQDCKAWGHZPF-UHFFFAOYSA-N
Molecular Weight 238.341 g/mol
SMILES C(#N)SCSc1nc2ccccc2s1
SPLASH splash10-001r-3910000000-181a0a337133f06338bd
Source of Spectrum TE-1992-1289-0
Wiley ID 1239974