4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
2-(1,3-benzothiazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile
Also Known As: 2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile|2-(Benzo[d]thiazol-2(3H)-ylidene)-4-chloro-3-oxobutanenitrile|4-chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile|2-(1,3-Benzothiazol-2(3h)-ylidene)-4-chloro-3-oxobutanenitrile
CAS: 307975-77-5
| Molecular Formula | C11H7ClN2OS |
|---|---|
| Molecular Weight | 249.99677 g/mol |
| LogP | 3.32778 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.99677 |
| Monoisotopic Mass | 249.99677 |
| Heavy Atoms | 16 |
| Complexity | 564.29553 |
Chemical Identifiers
| CAS Number | 307975-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(CCl)O)C#N |
Product Overview
4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile (CAS 307975-77-5), with molecular formula C11H7ClN2OS and molecular weight 249.99677 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-chloro-3-hydroxybut-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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4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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