4-(1,3-Benzothiazol-2-ylsulfanyl)butanoic acid
4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid
Also Known As: Methylcinnamate|4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid|4-(Benzothiazol-2-ylsulfanyl)-butyric acid|NCIStruc1_000724|NCIStruc2_000896|TimTec1_001860|4-(2-Benzothiazolylthio)-Butyric Acid|4-benzothiazol-2-ylthiobutanoic acid|4-(benzo[d]thiazol-2-ylthio)butanoic acid|4-benzothiazol-2-ylsulfanylbutanoate|5859AF|butanoic acid, 4-(2-benzothiazolylthio)-|4-(Benzothiazol-2-ylthio)butyric acid|NCGC00014449-02|NCGC00097554-01|4-(benzo[d]thiazol-2-ylthio)butanoicacid|NCI60_001231|4-(1,3-benzothiazol-2-ylthio)butanoic acid|gamma-MERCAPTOBENZOTHIAZOLYL-2-BUTYRIC ACID|AO-080/40885066
| Molecular Formula | C11H11NO2S2 |
|---|---|
| Molecular Weight | 253.02312 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.02312 |
| Monoisotopic Mass | 253.02312 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 80357-74-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)O |
| InChIKey | VLBFSFGWNXSNRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)butanoic acid (CAS 80357-74-0), with molecular formula C11H11NO2S2 and molecular weight 253.02312 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid.