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55067-14-6 | 2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS No: 55067-14-6 Catalog No: AG00DREW MDL No:
Product Description
Catalog Number:
AG00DREW
Chemical Name:
2-[4-[[2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl]azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS Number:
55067-14-6
IUPAC Name:
2-[4-[(2-cyanoimino-4,6-dioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
InChI:
InChI=1S/C19H13N7O5S2/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)
InChI Key:
STSWYQLPKUGPRL-UHFFFAOYSA-N
EC Number:
259-469-7
Properties
Complexity:
989
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.042g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
483.477g/mol
Monoisotopic Mass:
483.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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