| CAS Number | 851049-24-6 |
| Catalog Number | AG01AG3V(AGN-PC-0AM6KM) |
| Chemical Name | 4-Ethynyl-3-methyl-1,2-thiazol-5-amine |
| IUPAC Name | 4-ethynyl-3-methyl-1,2-thiazol-5-amine |
| InChI | InChI=1S/C6H6N2S/c1-3-5-4(2)8-9-6(5)7/h1H,7H2,2H3 |
| InChI Key | RYELGCMBQYBWFW-UHFFFAOYSA-N |
| MDL Number | MFCD19207825 |
| Molecular Formula | C6H6N2S |
| Molecular Weight | 138.1902 |
| SMILES | CC1C(C#C)=C(N)SN=1 |
| Synonyms | 4-ethynyl-3-methyl-1,2-thiazol-5-amine,
851049-24-6,
4-ethynyl-3-methyl-isothiazol-5-ylamine,
SCHEMBL6242737,
ZINC95884092,
AKOS006360361,
NE57579,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.188g/mol |
| Monoisotopic Mass | 138.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number