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55067-12-4 | sodium 2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS No: 55067-12-4 Catalog No: AG00E4RL MDL No:
Product Description
Catalog Number:
AG00E4RL
Chemical Name:
sodium 2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS Number:
55067-12-4
IUPAC Name:
sodium;2-[4-[(2-cyanoimino-4,6-dioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C19H13N7O5S2.Na/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28;/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28);/q;+1/p-1
InChI Key:
FCFYFUFGQKWGGB-UHFFFAOYSA-M
EC Number:
259-468-1
Properties
Complexity:
996
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.024g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
505.459g/mol
Monoisotopic Mass:
505.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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