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37936-41-7 | 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS No: 37936-41-7 Catalog No: AG00CWZ9 MDL No:
Product Description
Catalog Number:
AG00CWZ9
Chemical Name:
2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid
CAS Number:
37936-41-7
IUPAC Name:
6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
InChI:
InChI=1S/C18H13N5O6S2/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)
InChI Key:
APIDSQKETXQPQW-UHFFFAOYSA-N
EC Number:
253-724-6
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.031g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
459.451g/mol
Monoisotopic Mass:
459.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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