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142174

Sigma-Aldrich

6-Ethoxy-2-mercaptobenzothiazole

99%

Synonym(s):

6-Ethoxy-2-benzothiazolethiol

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About This Item

Empirical Formula (Hill Notation):
C9H9NOS2
CAS Number:
120-53-6
Molecular Weight:
211.30
EC Number:
204-405-5
MDL number:
MFCD00005782
UNSPSC Code:
12352100
PubChem Substance ID:
24848385
NACRES:
NA.22

Assay

99%

mp

198-200 °C (lit.)

SMILES string

CCOc1ccc2nc(S)sc2c1

InChI

1S/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)

InChI key

HOASVNMVYBSLSU-UHFFFAOYSA-N

General description

6-Ethoxy-2-mercaptobenzothiazole is a potential matrix for matrix-assisted laser desorption mass spectrometry for accurate mass determination of biomolecules.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Mercaptobenzothiazoles: A new class of matrices for laser desorption ionization mass spectrometry.
Xu N, et al.
Journal of the American Society For Mass Spectrometry, 8(2), 116-124 (1997)
Fen Pei et al.
Scientific reports, 7(1), 17803-17803 (2017-12-21)
Quantitative Systems Pharmacology (QSP) is a drug discovery approach that integrates computational and experimental methods in an iterative way to gain a comprehensive, unbiased understanding of disease processes to inform effective therapeutic strategies. We report the implementation of QSP to

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