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Home Sulfos 2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI)

2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI)

CAS No.:
941-57-1
Catalog Number:
AG00H1O1
Molecular Formula:
C7H5NO3S2
Molecular Weight:
215.2495
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Product Description
Catalog Number:
AG00H1O1
Chemical Name:
2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI)
CAS Number:
941-57-1
Molecular Formula:
C7H5NO3S2
Molecular Weight:
215.2495
MDL Number:
MFCD00477356
IUPAC Name:
1,3-benzothiazole-2-sulfonic acid
InChI:
InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
InChI Key:
ZCXGMSGCBDSEOY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1nc2c(s1)cccc2
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.971g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.241g/mol
Monoisotopic Mass:
214.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Membrane bioreactors for municipal wastewater treatment - a viable option to reduce the amount of polar pollutants discharged into surface waters? Water research 20080801
Comparison of sulfonated and other micropollutants removal in membrane bioreactor and conventional wastewater treatment. Water research 20070201
Polar pollutants entry into the water cycle by municipal wastewater: a European perspective. Environmental science & technology 20060901
Occurrence, sources, and fate of benzothiazoles in municipal wastewater treatment plants. Environmental science & technology 20050515
Determination of benzothiazoles from complex aqueous samples by liquid chromatography-mass spectrometry following solid-phase extraction. Journal of chromatography. A 20041126
Occurrence of benzothiazoles in municipal wastewater and their fate in biological treatment. Water science and technology : a journal of the International Association on Water Pollution Research 20040101
Microbial transformations of 2-substituted benzothiazoles. Applied microbiology and biotechnology 20011201
Properties