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71215-89-9 | 2-Methyl-5-phenylbenzo[d]thiazole
CAS No: 71215-89-9 Catalog No: AG005WDK MDL No:MFCD00453084
Product Description
Catalog Number:
AG005WDK
Chemical Name:
2-Methyl-5-phenylbenzo[d]thiazole
CAS Number:
71215-89-9
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD00453084
IUPAC Name:
2-methyl-5-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C14H11NS/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
KUZZADDAFBFKBN-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations. | Toxicology 20180801 |
| Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase. | Toxicology letters 20160226 |
| A comparison of the reactivating and therapeutic efficacy of chosen combinations of oximes with individual oximes against VX in rats and mice. | International journal of toxicology 20111001 |
| Interactions of pyridinium oximes with acetylcholinesterase. | Chemico-biological interactions 20100906 |
| The influence of combinations of oximes on the reactivating and therapeutic efficacy of antidotal treatment of tabun poisoning in rats and mice. | Journal of applied toxicology : JAT 20100301 |
| Discovery of heterobicyclic templates for novel metabotropic glutamate receptor subtype 5 antagonists. | Bioorganic & medicinal chemistry letters 20070601 |
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