| CAS Number | 1019352-39-6 |
| Catalog Number | AG01C3YY |
| Chemical Name | 2-{4-methyl-2-[(2-methylpropyl)sulfanyl]-1,3-thiazol-5-yl}acetic acid |
| IUPAC Name | 2-[4-methyl-2-(2-methylpropylsulfanyl)-1,3-thiazol-5-yl]acetic acid |
| InChI | InChI=1S/C10H15NO2S2/c1-6(2)5-14-10-11-7(3)8(15-10)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13) |
| InChI Key | OVGGSKIGXIWKRV-UHFFFAOYSA-N |
| MDL Number | MFCD11128512 |
| Molecular Formula | C10H15NO2S2 |
| Molecular Weight | 245.3616 |
| SMILES | CC(CSC1SC(CC(O)=O)=C(C)N=1)C |
| Synonyms | 2-{4-methyl-2-[(2-methylpropyl)sulfanyl]-1,3-thiazol-5-yl}acetic acid,
1019352-39-6,
ZINC19812688,
AKOS000205683,
Z2515207604,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.355g/mol |
| Monoisotopic Mass | 245.054g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number