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32446-47-2 | 3-Ethylbenzothiazolium bromide
CAS No: 32446-47-2 Catalog No: AG0033OZ MDL No:MFCD00051852
Product Description
Catalog Number:
AG0033OZ
Chemical Name:
3-Ethylbenzothiazolium bromide
CAS Number:
32446-47-2
Molecular Formula:
C9H10BrNS
Molecular Weight:
244.1514
MDL Number:
MFCD00051852
IUPAC Name:
3-ethyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C9H10NS.BrH/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChI Key:
XBWYYTURPBHPFJ-UHFFFAOYSA-M
SMILES:
CC[n+]1csc2c1cccc2.[Br-]
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.972g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.15g/mol
Monoisotopic Mass:
242.972g/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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