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Home > Bromides > 1949836-92-3
1949836-92-3 | Methyl 2-(2-imino-6-(methylsulfonyl)benzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1949836-92-3 Catalog No: AG01FN25 MDL No:MFCD26940474
Product Description
Catalog Number:
AG01FN25
Chemical Name:
Methyl 2-(2-imino-6-(methylsulfonyl)benzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1949836-92-3
Molecular Formula:
C11H13BrN2O4S2
Molecular Weight:
381.2659
MDL Number:
MFCD26940474
IUPAC Name:
methyl 2-(2-imino-6-methylsulfonyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C11H12N2O4S2.BrH/c1-17-10(14)6-13-8-4-3-7(19(2,15)16)5-9(8)18-11(13)12;/h3-5,12H,6H2,1-2H3;1H
InChI Key:
VFCWBTDILAXTFH-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1ccc(c2)S(=O)(=O)C.Br
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.95g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.259g/mol
Monoisotopic Mass:
379.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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