![2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid structure](/static/products/7807/780706-76-5.webp)
2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-[4-[[2-Cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-1-yl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid
| Molecular Formula | C27H24N4O7S3 |
|---|---|
| Molecular Weight | 612.0807 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 612.0807 |
| Monoisotopic Mass | 612.0807 |
| Heavy Atoms | 41 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 780706-76-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(=CC4=CC=C(C=C4)N(C)CCS(=O)(=O)O)C#N)S(=O)(=O)O |
| InChIKey | YSNTXQGYWAKSAZ-UHFFFAOYSA-N |
Product Overview
2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid (CAS 780706-76-5), with molecular formula C27H24N4O7S3 and molecular weight 612.0807 g/mol. IUPAC: 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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