| CAS Number | 207675-84-1 |
| Catalog Number | AG00CFTA(AGN-PC-0QWKL3) |
| Chemical Name | 5-Thiazolecarboxaldehyde, 2-(1-methylethyl)- (9CI) |
| IUPAC Name | 2-propan-2-yl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C7H9NOS/c1-5(2)7-8-3-6(4-9)10-7/h3-5H,1-2H3 |
| InChI Key | AQUYPRJMFNPTGE-UHFFFAOYSA-N |
| MDL Number | MFCD14615182 |
| Molecular Formula | C7H9NOS |
| Molecular Weight | 155.2175 |
| SMILES | O=CC1=CN=C(C(C)C)S1 |
| Synonyms | 2-isopropylthiazole-5-carbaldehyde,
207675-84-1,
2-(propan-2-yl)-1,3-thiazole-5-carbaldehyde,
5-Thiazolecarboxaldehyde, 2-(1-methylethyl)- (9CI),
SCHEMBL12271675,
AQUYPRJMFNPTGE-UHFFFAOYSA-N,
2-isopropyl-thiazole-5-carbaldehyde,
ZINC39062732,
AKOS010535431,
NE46159,
RP21959,
2-Isopropyl-1,3-thiazole-5-carbaldehyde,
AM100492,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.215g/mol |
| Monoisotopic Mass | 155.04g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number