| CAS Number | 124627-82-3 |
| Catalog Number | AG00HHQK |
| Chemical Name | 2-((1-(4-Methoxyphenyl)-1H-imidazol-2-yl)thio)acetic acid |
| IUPAC Name | 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid |
| InChI | InChI=1S/C12H12N2O3S/c1-17-10-4-2-9(3-5-10)14-7-6-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16) |
| InChI Key | ZMFGORYEWJIPFJ-UHFFFAOYSA-N |
| MDL Number | MFCD06386699 |
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.3003 |
| SMILES | COC1=CC=C(N2C(SCC(O)=O)=NC=C2)C=C1 |
| Synonyms | 124627-82-3,
2-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid,
{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]thio}acetic acid,
([1-(4-Methoxyphenyl)-1H-imidazol-2-yl]thio)acetic acid,
AC1NLPP7,
AC1Q4BWN,
SCHEMBL10424919,
CTK7A4516,
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic Acid,
ZINC3399163,
MFCD06386699,
AKOS008972581,
MCULE-9723888483,
NE26087,
EN300-12253,
SR-01000064578,
SR-01000064578-1,
Z66517326,
2-((1-(4-Methoxyphenyl)-1H-imidazol-2-yl)thio)acetic acid,
CID4961828,
2-(carboxymethylthio)-1-(4-methoxyphenyl)imidazole,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.299g/mol |
| Monoisotopic Mass | 264.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number