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64036-43-7 | Benzothiazolethiol,2-methyl-
CAS No: 64036-43-7 Catalog No: AG00EOCC MDL No:
Product Description
Catalog Number:
AG00EOCC
Chemical Name:
Benzothiazolethiol,2-methyl-
CAS Number:
64036-43-7
IUPAC Name:
2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key:
UTBVIMLZIRIFFR-UHFFFAOYSA-N
EC Number:
210-417-1
UNII:
2748L341KY
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of benzotriazole and benzothiazole derivatives in aqueous matrices by mixed-mode solid-phase extraction followed by liquid chromatography–tandem mass spectrometry. | Analytical and bioanalytical chemistry 20120301 |
| Identification of benzothiazole derivatives and polycyclic aromatic hydrocarbons as aryl hydrocarbon receptor agonists present in tire extracts. | Environmental toxicology and chemistry 20110801 |
| Biotransformation of benzothiazole derivatives by the Pseudomonas putida strain HKT554. | Chemosphere 20100901 |
| Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands. | Water science and technology : a journal of the International Association on Water Pollution Research 20100101 |
| Mercaptobenzothiazole allergenicity-role of the thiol group. | Cutaneous and ocular toxicology 20080101 |
| Evaluation of the treatment efficiencies of paper mill whitewaters in terms of organic composition and toxicity. | Environmental pollution (Barking, Essex : 1987) 20070601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia. | Archives of environmental contamination and toxicology 20050401 |
| 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 |
| Widespread occurrence of bacterial thiol methyltransferases and the biogenic emission of methylated sulfur gases. | Applied and environmental microbiology 19870701 |
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