| CAS Number | 852217-76-6 |
| Catalog Number | AG00IDL4 |
| Chemical Name | 2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid |
| IUPAC Name | 2-methylsulfanyl-3-phenylimidazole-4-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2S/c1-16-11-12-7-9(10(14)15)13(11)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15) |
| InChI Key | NYRLRKPYIWJTTG-UHFFFAOYSA-N |
| MDL Number | MFCD06655356 |
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.2743 |
| SMILES | CSC1N(C2=CC=CC=C2)C(C(O)=O)=CN=1 |
| Synonyms | 2-(methylsulfanyl)-1-phenyl-1H-imidazole-5-carboxylic acid,
852217-76-6,
2-(methylthio)-1-phenyl-1H-imidazole-5-carboxylic acid,
AC1NLPXB,
AC1Q4H54,
CTK7B5442,
ZINC3888357,
MFCD06655356,
AKOS022979600,
MCULE-3393737628,
NE37835,
EN300-12578,
AB00731916-01,
SR-01000066297,
2-methylsulfanyl-3-phenylimidazole-4-carboxylic acid,
SR-01000066297-1,
Z66326135,
CID4961976,
2-methylsulfanyl-3-phenyl-imidazole-4-carboxylic Acid,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.273g/mol |
| Monoisotopic Mass | 234.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number