| CAS Number | 1038334-94-9 |
| Catalog Number | AG01A8MU(AGN-PC-0WO5E5) |
| Chemical Name | 2-[(1-tert-butyl-1H-imidazol-2-yl)sulfanyl]acetic acid |
| IUPAC Name | 2-(1-tert-butylimidazol-2-yl)sulfanylacetic acid |
| InChI | InChI=1S/C9H14N2O2S/c1-9(2,3)11-5-4-10-8(11)14-6-7(12)13/h4-5H,6H2,1-3H3,(H,12,13) |
| InChI Key | NFHIYVCGVVINQH-UHFFFAOYSA-N |
| MDL Number | MFCD11201206 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CC(N1C(SCC(O)=O)=NC=C1)(C)C |
| Synonyms | 2-[(1-tert-butyl-1H-imidazol-2-yl)sulfanyl]acetic acid,
1038334-94-9,
AC1Q1MK0,
ZINC20581924,
AKOS008119555,
MCULE-1542766593,
NE41323,
EN300-62042,
Z1171979253,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number