| CAS Number | 460708-97-8 |
| Catalog Number | AG00J3PY |
| Chemical Name | 1-[(5-methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-2-butanone hydrobromide |
| IUPAC Name | 1-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one;hydrobromide |
| InChI | InChI=1S/C15H20N2O2S.BrH/c1-15(2,3)13(18)9-20-14-16-11-8-10(19-5)6-7-12(11)17(14)4;/h6-8H,9H2,1-5H3;1H |
| InChI Key | XJSQWGFDMXIFFZ-UHFFFAOYSA-N |
| MDL Number | MFCD00968034 |
| Molecular Formula | C15H21BrN2O2S |
| Molecular Weight | 373.3084 |
| SMILES | C1(SCC(=O)C(C)(C)C)N(C)C2=C(C=C(C=C2)OC)N=1.Br |
| Synonyms | 1-[(5-methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-2-butanone hydrobromide,
460708-97-8,
ZX-CM016043,
MFCD00968034,
1-[(5-Methoxy-1-methyl-1H-benzimidazol-2-yl)thio]-3,3-dimethyl-2-butanonehydrobromide,
302929-96-0,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.309g/mol |
| Monoisotopic Mass | 372.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number