| CAS Number | 104514-85-4 |
| Catalog Number | AG009Q87(AGN-PC-00N6AJ) |
| Chemical Name | 4-(Propan-2-yl)-2,3-dihydro-1,3-thiazol-2-one |
| IUPAC Name | 4-propan-2-yl-3H-1,3-thiazol-2-one |
| InChI | InChI=1S/C6H9NOS/c1-4(2)5-3-9-6(8)7-5/h3-4H,1-2H3,(H,7,8) |
| InChI Key | CKYDGOQJQRJZIG-UHFFFAOYSA-N |
| MDL Number | MFCD11632133 |
| Molecular Formula | C6H9NOS |
| Molecular Weight | 143.2068 |
| SMILES | CC(C1NC(=O)SC=1)C |
| Synonyms | 104514-85-4,
2(3H)-Thiazolone, 4-(1-methylethyl)-,
SCHEMBL1755734,
SCHEMBL10197109,
CTK8G4891,
AKOS009429730,
2(3H)-Thiazolone, 4-(1-methylethyl)-,
4-(propan-2-yl)-2,3-dihydro-1,3-thiazol-2-one,
4-(PROPAN-2-YL)-1,3-THIAZOL-2-OL,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.204g/mol |
| Monoisotopic Mass | 143.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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