| CAS Number | 1087792-30-0 |
| Catalog Number | AG019MUP(AGN-PC-0WOCNH) |
| Chemical Name | 1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one |
| IUPAC Name | 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone |
| InChI | InChI=1S/C10H15NOS/c1-6-8(7(2)12)13-9(11-6)10(3,4)5/h1-5H3 |
| InChI Key | RODSPZYICFCYLS-UHFFFAOYSA-N |
| MDL Number | MFCD11099538 |
| Molecular Formula | C10H15NOS |
| Molecular Weight | 197.2972 |
| SMILES | CC(C1=C(C)N=C(C(C)(C)C)S1)=O |
| Synonyms | 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one,
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone,
1087792-30-0,
AC1Q1JDB,
SCHEMBL14357152,
CTK5J9909,
ZINC32627277,
AKOS009312996,
MCULE-7641557662,
NE14879,
EN300-37354,
Z735540590,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.296g/mol |
| Monoisotopic Mass | 197.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number