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3119-93-5 | 3-Ethyl-2-methylbenzo[d]thiazol-3-ium iodide
CAS No: 3119-93-5 Catalog No: AG003JE9 MDL No:MFCD00044134
Product Description
Catalog Number:
AG003JE9
Chemical Name:
3-Ethyl-2-methylbenzo[d]thiazol-3-ium iodide
CAS Number:
3119-93-5
Molecular Formula:
C10H12INS
Molecular Weight:
305.1784
MDL Number:
MFCD00044134
IUPAC Name:
3-ethyl-2-methyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
HWFCSPDBFXYFKY-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C)sc2c1cccc2.[I-]
EC Number:
221-494-6
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.177g/mol
Monoisotopic Mass:
304.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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