Coumarin 527
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one
Also Known As: Coumarin 527|2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-4-methyl-|3-(2-benzothiazolyl)-7-(diethylamino)-4-methylcoumarin|3-(Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2-benzopyrone|3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2H-chromen-2-one|3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one|3-(Benzo[d]thiazol-2-yl)-7-(diethylamino)-4-methyl-2H-chromen-2-one|3-(BENZO(D)THIAZOL-2-YL)-7-(DIETHYLAMINO)-4-METHYL-2H-CHROMEN-2-ONE|3-(Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one|3-(1,3-Benzothiazol-2-yl)-7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12454 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.12454 |
| Monoisotopic Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 72102-92-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C |
| InChIKey | JSMSNRWNQKNTOW-UHFFFAOYSA-N |
Product Overview
Coumarin 527 (CAS 72102-92-2), with molecular formula C21H20N2O2S and molecular weight 364.12454 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4-methylchromen-2-one.
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