| CAS Number | 111600-85-2 |
| Catalog Number | AG00827C(AGN-PC-00DFG2) |
| Chemical Name | 2-Ethynylthiazole |
| IUPAC Name | 2-ethynyl-1,3-thiazole |
| InChI | InChI=1S/C5H3NS/c1-2-5-6-3-4-7-5/h1,3-4H |
| InChI Key | CDFUVXUAFYQGMT-UHFFFAOYSA-N |
| MDL Number | MFCD13189814 |
| Molecular Formula | C5H3NS |
| Molecular Weight | 109.1490 |
| SMILES | C#CC1=NC=CS1 |
| Synonyms | 2-Ethynylthiazole,
111600-85-2,
2-ethynyl-1,3-thiazole,
Thiazole, 2-ethynyl-,
ethynylthiazole,
ACMC-20mehx,
SCHEMBL577167,
CTK0H2853,
DTXSID40470001,
ZINC39134756,
AKOS026700304,
AB69173,
MCULE-2697799667,
NE36925,
Y5907,
F2167-2861,
Z1784145612,
C5H3NS,
CID11651155,
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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