200,000+ products from a single source!
sales@angenechem.com
65036-46-6 | 2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2,2-nitrilotris(ethanol) (1:1)
CAS No: 65036-46-6 Catalog No: AG00H6AW MDL No:
Product Description
Catalog Number:
AG00H6AW
Chemical Name:
2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2,2-nitrilotris(ethanol) (1:1)
CAS Number:
65036-46-6
Molecular Formula:
C24H28N6O9S2
Molecular Weight:
608.6439
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethanol;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.C6H15NO3/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;8-4-1-7(2-5-9)3-6-10/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);8-10H,1-6H2
InChI Key:
AZHSURPXVDEIHG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(=O)N1)/N=N/c1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O.OCCN(CCO)CCO
EC Number:
265-314-4
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.136g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
608.641g/mol
Monoisotopic Mass:
608.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.