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120-53-6

120-53-6 Structure

120-53-6 Structure
IdentificationMore
[Name]

6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE
[CAS]

120-53-6
[Synonyms]

6-ETHOXY-2-BENZOTHIAZOLETHIOL
6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE
TIMTEC-BB SBB007712
2(3H)-Benzothiazolethione, 6-ethoxy-
2-Benzothiazolethiol, 6-ethoxy-
2-Mercapto-6-ethoxybenzothiazole
6-Ethoxy-1,3-benzothiazol-2-yl hydrosulfide
6-ethoxy-2(3h)-benzothiazolethion
6-ethoxy-2-benzothiazolethio
USAF pd-58
6-Ethoxybenzothiazolethiol
6-Ethoxy-2-benzothiazolethiol, Pract.
6-Ethoxy-2-mercaptobenzothiazole, Pract.
6-ETHOXY-1,3-BENZOTHIAZOLE-2-THIOL
2(3H)-Benzothiazolethione,6-ethoxy-(8CI,9CI)
6-Ethoxy-2(3H)-benzothiazolethione
6-Ethoxybenzothiazole-2-thiol
[EINECS(EC#)]

204-405-5
[Molecular Formula]

C9H9NOS2
[MDL Number]

MFCD00005782
[Molecular Weight]

211.3
[MOL File]

120-53-6.mol
Chemical PropertiesBack Directory
[Melting point ]

198-200 °C (lit.)
[Boiling point ]

358.5±44.0 °C(Predicted)
[density ]

1.37
[refractive index ]

1.5650 (estimate)
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

9.52±0.20(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

Insoluble in water.
[BRN ]

152313
[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)
[InChIKey]

HOASVNMVYBSLSU-UHFFFAOYSA-N
[SMILES]

CCOc1ccc2nc(S)sc2c1
[CAS DataBase Reference]

120-53-6(CAS DataBase Reference)
[EPA Substance Registry System]

2(3H)-Benzothiazolethione, 6-ethoxy- (120-53-6)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37:Irritating to eyes and respiratory system .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DL6498000
[TSCA ]

Yes
[HS Code ]

2934208090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->Potassium carbonate-->Bromoethane-->Tin-->4-Nitrophenol-->Potassium ethylxanthate
[Preparation Products]

6-Ethoxy-2-benzothiazolesulfonamide-->6-Ethoxy-2(3H)-benzothiazolone
Hazard InformationBack Directory
[Uses]

6-Ethoxy-2-mercaptobenzothiazole is used as a reagent in the preparation of nitrothiazolythio benzothiazoles as carbon-junction N-terminal kinase inhibitors. It is used in the synthesis of active pharmaceutical ingredients. Further, it serves as a matrix-assisted laser desorption mass spectrometry for bio molecules mass determination.
[General Description]

6-Ethoxy-2-mercaptobenzothiazole is a potential matrix for matrix-assisted laser desorption mass spectrometry for accurate mass determination of biomolecules.
Spectrum DetailBack Directory
[Spectrum Detail]

6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE(120-53-6)MS
6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE(120-53-6)1HNMR
6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE(120-53-6)IR1
6-ETHOXY-2-MERCAPTOBENZOTHIAZOLE(120-53-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

6-Ethoxy-2-mercaptobenzothiazole, 99%(120-53-6)
[Sigma Aldrich]

120-53-6(sigmaaldrich)
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