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466683-22-7 | 2-Amino-6-methyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-3-ium bromide
CAS No: 466683-22-7 Catalog No: AG01FMCB MDL No:MFCD22587682
Product Description
Catalog Number:
AG01FMCB
Chemical Name:
2-Amino-6-methyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-3-ium bromide
CAS Number:
466683-22-7
Molecular Formula:
C11H11BrN2S
Molecular Weight:
283.1874
MDL Number:
MFCD22587682
IUPAC Name:
6-methyl-3-prop-2-ynyl-1,3-benzothiazol-3-ium-2-amine;bromide
InChI:
InChI=1S/C11H10N2S.BrH/c1-3-6-13-9-5-4-8(2)7-10(9)14-11(13)12;/h1,4-5,7,12H,6H2,2H3;1H
InChI Key:
GBWNACJDAIRISM-UHFFFAOYSA-N
SMILES:
C#CC[n+]1c(N)sc2c1ccc(c2)C.[Br-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.983g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.187g/mol
Monoisotopic Mass:
281.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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