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Home > Bromides > 1949816-68-5
1949816-68-5 | Methyl 2-(2-imino-6-(methylthio)benzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1949816-68-5 Catalog No: AG01FN41 MDL No:MFCD26940473
Product Description
Catalog Number:
AG01FN41
Chemical Name:
Methyl 2-(2-imino-6-(methylthio)benzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1949816-68-5
Molecular Formula:
C11H13BrN2O2S2
Molecular Weight:
349.2671
MDL Number:
MFCD26940473
IUPAC Name:
methyl 2-(2-imino-6-methylsulfanyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C11H12N2O2S2.BrH/c1-15-10(14)6-13-8-4-3-7(16-2)5-9(8)17-11(13)12;/h3-5,12H,6H2,1-2H3;1H
InChI Key:
UTRKAYXWNBFUCO-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1ccc(c2)SC.Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.96g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.261g/mol
Monoisotopic Mass:
347.96g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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