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35342-16-6 | lithium 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS No: 35342-16-6 Catalog No: AG00D1ZK MDL No:
Product Description
Catalog Number:
AG00D1ZK
Chemical Name:
lithium 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate
CAS Number:
35342-16-6
IUPAC Name:
lithium;6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate
InChI:
InChI=1S/C18H13N5O6S2.Li/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);/q;+1/p-1
InChI Key:
IAQVYEDWPGJFDC-UHFFFAOYSA-M
EC Number:
252-518-3
Properties
Complexity:
869
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.039g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.383g/mol
Monoisotopic Mass:
465.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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