| CAS Number | 1803561-46-7 |
| Catalog Number | AG01B8YL |
| Chemical Name | 5-Bromo-3-methylisothiazole-4-carbonitrile |
| IUPAC Name | 5-bromo-3-methyl-1,2-thiazole-4-carbonitrile |
| InChI | InChI=1S/C5H3BrN2S/c1-3-4(2-7)5(6)9-8-3/h1H3 |
| InChI Key | SKPLJEJAWCYGIA-UHFFFAOYSA-N |
| MDL Number | MFCD27991839 |
| Molecular Formula | C5H3BrN2S |
| Molecular Weight | 203.0597 |
| SMILES | CC1C(C#N)=C(Br)SN=1 |
| Synonyms | 5-BROMO-3-METHYLISOTHIAZOLE-4-CARBONITRILE,
1803561-46-7,
MFCD27991839,
ZINC97758466,
FCH2516912,
AS-42828,
EN300-203000,
5-BROMO-3-METHYL-1,2-THIAZOLE-4-CARBONITRILE,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.057g/mol |
| Monoisotopic Mass | 201.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number