| CAS Number | 165315-98-0 |
| Catalog Number | AG019N4H(AGN-PC-0211OE) |
| Chemical Name | 2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid |
| InChI | InChI=1S/C8H11NO2S/c1-5(2)8-9-6(4-12-8)3-7(10)11/h4-5H,3H2,1-2H3,(H,10,11) |
| InChI Key | QAHUPGYNFRCHGD-UHFFFAOYSA-N |
| MDL Number | MFCD10007075 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC(C1SC=C(CC(O)=O)N=1)C |
| Synonyms | 2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetic acid,
165315-98-0,
EN300-39381,
AB01000850-01,
(2-Isopropyl-thiazol-4-yl)-acetic acid,
(2-isopropyl-1,3-thiazol-4-yl)acetic acid,
AC1Q1OWW,
SCHEMBL5511169,
CTK6A6249,
ZINC11760977,
AKOS008122093,
MCULE-9271364108,
NE48481,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number