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119953-89-8 | Thiazolium, 3-ethyl-2-methyl-4,5-diphenyl-, perchlorate (1:1)
CAS No: 119953-89-8 Catalog No: AG000PW2 MDL No:
Product Description
Catalog Number:
AG000PW2
Chemical Name:
Thiazolium, 3-ethyl-2-methyl-4,5-diphenyl-, perchlorate (1:1)
CAS Number:
119953-89-8
Molecular Formula:
C18H18ClNO4S
Molecular Weight:
379.8578
IUPAC Name:
3-ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium
InChI:
InChI=1S/C18H18NS/c1-3-19-14(2)20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3/q+1
InChI Key:
AOPAXABZDNKENE-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CC[n+]1c(C)sc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.116g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.409g/mol
Monoisotopic Mass:
280.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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