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114589-25-2 | Benzothiazolium, 2,5-dimethyl-3-(2-propen-1-yl)-, bromide (1:1)
CAS No: 114589-25-2 Catalog No: AG000EQZ MDL No:
Product Description
Catalog Number:
AG000EQZ
Chemical Name:
Benzothiazolium, 2,5-dimethyl-3-(2-propen-1-yl)-, bromide (1:1)
CAS Number:
114589-25-2
Molecular Formula:
C12H14BrNS
Molecular Weight:
284.2153
IUPAC Name:
2,5-dimethyl-3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C12H14NS.BrH/c1-4-7-13-10(3)14-12-6-5-9(2)8-11(12)13;/h4-6,8H,1,7H2,2-3H3;1H/q+1;/p-1
InChI Key:
OAIVVLOIXNTEAJ-UHFFFAOYSA-M
SMILES:
Cc1sc2c([n+]1CC=C)cc(cc2)C.[Br-]
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.215g/mol
Monoisotopic Mass:
283.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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