2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline
methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate
Also Known As: Oprea1_122928|Oprea1_709699|2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline|methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate|2-(Methylimino)-3(2H)-benzothiazolepropanoic acid methyl ester|3-(2-Methylimino-benzothiazol-3-yl)-propionic acid methyl ester|Methyl 3-((2E)-2-[(E)-methylimino]-1,3-benzothiazol-3(2H)-yl)propanoate|methyl 3-[2-(methylimino)-2,3-dihydro-1,3-benzothiazol-3-yl]propanoate|Methyl 3-((2E)-2-[(E)-methylimino]-1,3-benzothiazol-3(2H)-yl)propanoate #
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.0776 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Monoisotopic Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 68720-68-3 |
|---|---|
| SMILES | CN=C1N(C2=CC=CC=C2S1)CCC(=O)OC |
| InChIKey | ARNZMTRRZQYFFZ-UHFFFAOYSA-N |
Product Overview
2-(Methylimino)-3-(2-carbomethoxyethyl)benzothiazoline (CAS 68720-68-3), with molecular formula C12H14N2O2S and molecular weight 250.0776 g/mol. IUPAC: methyl 3-(2-methylimino-1,3-benzothiazol-3-yl)propanoate.