| CAS Number | 1170785-85-9 |
| Catalog Number | AG019LCU |
| Chemical Name | 5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}furan-2-carboxylic acid hydrochloride |
| IUPAC Name | 5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O3S.ClH/c1-12-5-4-11-10(12)16-6-7-2-3-8(15-7)9(13)14;/h2-5H,6H2,1H3,(H,13,14);1H |
| InChI Key | UBUUBEAFXHDQDJ-UHFFFAOYSA-N |
| MDL Number | MFCD04635839 |
| Molecular Formula | C10H11ClN2O3S |
| Molecular Weight | 274.7239 |
| SMILES | Cl.CN1C(SCC2OC(C(O)=O)=CC=2)=NC=C1 |
| Synonyms | 5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}furan-2-carboxylic acid hydrochloride,
1170785-85-9,
5-{[(1-methyl-1H-imidazol-2-yl)thio]methyl}-2-furoic acid hydrochloride,
AC1Q3BND,
CTK7I8321,
MCULE-3802057226,
NE14575,
EN300-30807,
Z317046596,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.719g/mol |
| Monoisotopic Mass | 274.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number