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Home > Bromides > 1949816-32-3
1949816-32-3 | 5,6-Dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine hydrobromide
CAS No: 1949816-32-3 Catalog No: AG01FN40 MDL No:MFCD26940485
Product Description
Catalog Number:
AG01FN40
Chemical Name:
5,6-Dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine hydrobromide
CAS Number:
1949816-32-3
Molecular Formula:
C12H13BrN2S
Molecular Weight:
297.2140
MDL Number:
MFCD26940485
IUPAC Name:
5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
InChI:
InChI=1S/C12H12N2S.BrH/c1-4-5-14-10-6-8(2)9(3)7-11(10)15-12(14)13;/h1,6-7,13H,5H2,2-3H3;1H
InChI Key:
QKKABQORVHKOTO-UHFFFAOYSA-N
SMILES:
C#CCn1c(=N)sc2c1cc(C)c(c2)C.Br
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.214g/mol
Monoisotopic Mass:
295.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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