4-(1,3-Benzothiazol-2-yl)butanoic acid
4-(1,3-benzothiazol-2-yl)butanoic acid
Also Known As: 4-Benzothiazol-2-yl-butyric acid|4-(1,3-benzothiazol-2-yl)butanoic acid|2-Benzothiazolebutanoicacid|2-benzothiazolebutanoic acid|CBMicro_005694|CBKinase1_000687|CBKinase1_013087|4-(benzo[d]thiazol-2-yl)butanoic acid|Oprea1_190451|Oprea1_706196|Tris(trifluoromethyl)phosphine|4-(2-Benzothiazolyl)butansaeure|4-Benzothiazol-2-ylbutyric acid|2-Benzothiazolebutanoicacid(9CI)|4-benzothiazol-2-ylbutanoic acid|4-(2-benzothiazolyl)butanoic acid|2927AE|4-(benzo[d]thiazol-2-yl)butanoicacid|SDCCGMLS-0024784.P002|1,3-Dichloro-4-(trifluoromethoxy)benzene|BAS 03107204|BIM-0005539.P001|BB 0240544
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05106 g/mol |
| LogP | 2.7036 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.05106 |
| Monoisotopic Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 445.14758 |
Chemical Identifiers
| CAS Number | 451-85-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCCC(=O)O |
Product Overview
4-(1,3-Benzothiazol-2-yl)butanoic acid (CAS 451-85-4), with molecular formula C11H11NO2S and molecular weight 221.05106 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)butanoic acid.