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941-57-1 | 2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI)
CAS No: 941-57-1 Catalog No: AG00H1O1 MDL No:MFCD00477356
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 |
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