| CAS Number | 1246819-06-6 |
| Catalog Number | AG009E9K(AGN-PC-0WH2C5) |
| Chemical Name | 1-Methyl-12-thioxopyrido[1,2,3,4]imidazole-[1,2-a]benzimidazole-2(12H)-one |
| IUPAC Name | 14-methyl-16-sulfanylidene-1,8,10-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,11,14-hexaen-13-one |
| InChI | InChI=1S/C14H9N3OS/c1-8-11(18)6-7-16-12(8)13(19)17-10-5-3-2-4-9(10)15-14(16)17/h2-7H,1H3 |
| InChI Key | VLLBEVJGIOARKW-UHFFFAOYSA-N |
| MDL Number | MFCD25974316 |
| Molecular Formula | C14H9N3OS |
| Molecular Weight | 267.3058 |
| SMILES | CC1=C2N(C=CC1=O)c3nc4ccccc4n3C2=S |
| Synonyms | 1246819-06-6,
1-Methyl-12-thioxopyrido[1,2,3,4]imidazole-[1,2-a]benzimidazole-2(12H)-one,
Lansoprazole Thioxo Impurity,
SCHEMBL14236783,
DTXSID20744151,
ZINC65743419,
FT-0672225,
1-Methyl-12-sulfanylidenepyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one,
1-Methyl-12-thioxopyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one,
VLLBEVJGIOARKW-UHFFFAOYSA-N,
CS-O-10003,
|
| Complexity | 539 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.306g/mol |
| Monoisotopic Mass | 267.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number