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Merck
CN

34555

2-(Thiocyanatomethylthio)benzothiazole

PESTANAL®, analytical standard

Synonym(s):

(1,3-Benzothiazol-2-ylthio)methyl thiocyanate, 2-(Thiocyanatomethylthio)-1,3-benzothiazole, Benthiazole, TCMTB, Thiocyanic acid 2-(benzothiazolylthio)methyl ester

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About This Item

Empirical Formula (Hill Notation):
C9H6N2S3
CAS Number:
21564-17-0
Molecular Weight:
238.35
EC Number:
244-445-0
UNSPSC Code:
77101502
PubChem Substance ID:
329755030
Beilstein/REAXYS Number:
1213014
MDL number:
MFCD00072503

Key Documents

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InChI key

TUBQDCKAWGHZPF-UHFFFAOYSA-N

InChI

1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2

SMILES string

N#CSCSC1=NC(C=CC=C2)=C2S1

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

application(s)

agriculture
environmental

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

农药列管产品
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Angela R Buckalew et al.
Archives of toxicology, 94(3), 873-885 (2020-02-18)
The Fischer rat thyroid follicular cell line (FRTL-5) endogenously expresses the sodium-iodide symporter (NIS) and has been used to identify environmental chemicals that perturb thyroid hormone homeostasis by disruption of NIS-mediated iodide uptake. Previously, a high-throughput radioactive iodide uptake (RAIU)

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