142174
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:
Molecular Weight:
211.30
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
204-405-5
MDL number:
Product Name
6-Ethoxy-2-mercaptobenzothiazole, 99%
InChI key
HOASVNMVYBSLSU-UHFFFAOYSA-N
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)
SMILES string
CCOc1ccc2nc(S)sc2c1
assay
99%
mp
198-200 °C (lit.)
General description
6-Ethoxy-2-mercaptobenzothiazole is a potential matrix for matrix-assisted laser desorption mass spectrometry for accurate mass determination of biomolecules.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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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