| CAS Number | 111600-89-6 |
| Catalog Number | AG007AD4(AGN-PC-03MMR9) |
| Chemical Name | Thiazole, 4-ethynyl- |
| IUPAC Name | 4-ethynyl-1,3-thiazole |
| InChI | InChI=1S/C5H3NS/c1-2-5-3-7-4-6-5/h1,3-4H |
| InChI Key | SNNHMXYMKWHUBM-UHFFFAOYSA-N |
| MDL Number | MFCD18207415 |
| Molecular Formula | C5H3NS |
| Molecular Weight | 109.1490 |
| SMILES | C#Cc1cscn1 |
| Synonyms | Thiazole, 4-ethynyl-,
111600-89-6,
4-ethynyl-1,3-thiazole,
4-ethynylthiazole,
ACMC-20mehz,
SCHEMBL1725404,
CTK0H2854,
DTXSID20623679,
SNNHMXYMKWHUBM-UHFFFAOYSA-N,
ZINC39134755,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.146g/mol |
| Monoisotopic Mass | 108.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number