| CAS Number | 1394042-39-7 |
| Catalog Number | AG019ZZ5(AGN-PC-0WO655) |
| Chemical Name | 2-Cyclobutyl-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 2-cyclobutyl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C8H9NOS/c10-5-7-4-9-8(11-7)6-2-1-3-6/h4-6H,1-3H2 |
| InChI Key | BQZAQQSRZCHPEG-UHFFFAOYSA-N |
| MDL Number | MFCD21117859 |
| Molecular Formula | C8H9NOS |
| Molecular Weight | 167.2282 |
| SMILES | C1CC(C1)C2=NC=C(C=O)S2 |
| Synonyms | 2-Cyclobutylthiazole-5-carbaldehyde,
1394042-39-7,
2-cyclobutyl-1,3-thiazole-5-carbaldehyde,
SCHEMBL15880907,
ZINC75772265,
AKOS014314895,
NE37598,
RP23025,
DA-45398,
FT-0728091,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.226g/mol |
| Monoisotopic Mass | 167.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number