GRN4VRE6GK
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
Also Known As: 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)|6-methyl-2-{4-[(e)-(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid- 2,2',2''-nitrilotriethanol(1:1)|7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol)|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)|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)|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|265-314-4|6-Methyl-2-{4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)|7-Benzothiazolesulfonic acid, 2-(4-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|7-Benzothiazolesulfonic acid, 2-(4-(2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|7-Benzothiazolesulfonic acid, 2-(p-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo)phenyl)-6-methyl-, triethanolamine salt (1:1)|7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol]|7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
| Molecular Formula | C24H28N6O9S2 |
|---|---|
| Molecular Weight | 608.1359 g/mol |
| LogP | 0.60202 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.1359 |
| Monoisotopic Mass | 608.1359 |
| Heavy Atoms | 41 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 7331-22-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | AZHSURPXVDEIHG-UHFFFAOYSA-N |
Product Overview
GRN4VRE6GK (CAS 7331-22-8), with molecular formula C24H28N6O9S2 and molecular weight 608.1359 g/mol. IUPAC: 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.