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515-57-1 | maleylsulfathiazole
CAS No: 515-57-1 Catalog No: AG00DI6T MDL No:
Product Description
Catalog Number:
AG00DI6T
Chemical Name:
maleylsulfathiazole
CAS Number:
515-57-1
IUPAC Name:
(Z)-4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]but-2-enoic acid
InChI:
InChI=1S/C13H11N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-8H,(H,14,16)(H,15,17)(H,18,19)/b6-5-
InChI Key:
ALXRUJOUFGNSHT-WAYWQWQTSA-N
EC Number:
208-202-2
UNII:
N7T6304257
NSC Number:
73483
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
353.014g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.367g/mol
Monoisotopic Mass:
353.014g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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