2-(1,3-Benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile
(E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile|(E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile|SR-01000045776-1|(2E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile|(E)-2-(Benzo[d]thiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile|976-922-0
CAS: 735342-48-0
| Molecular Formula | C12H9ClN2S |
|---|---|
| Molecular Weight | 248.0175 g/mol |
| LogP | 3.83218 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0175 |
| Monoisotopic Mass | 248.0175 |
| Heavy Atoms | 16 |
| Complexity | 559.3297 |
Chemical Identifiers
| CAS Number | 735342-48-0 |
|---|---|
| SMILES | C/C(=C(/C#N)\C1=NC2=CC=CC=C2S1)/CCl |
Product Overview
2-(1,3-Benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile (CAS 735342-48-0), with molecular formula C12H9ClN2S and molecular weight 248.0175 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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2-(1,3-Benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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