| CAS Number | 1331637-48-9 |
| Catalog Number | AG009Z46(AGN-PC-0WBMQG) |
| Chemical Name | 1,1'-N-[Methylenebis(sulphanediylethylene)]bis(N'-Methyl-2-nitroethene-1,1-diaMine |
| IUPAC Name | 1-N-methyl-1-N'-[2-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethylsulfanyl]ethyl]-2-nitroethene-1,1-diamine |
| InChI | InChI=1S/C11H22N6O4S2/c1-12-10(7-16(18)19)14-3-5-22-9-23-6-4-15-11(13-2)8-17(20)21/h7-8,12-15H,3-6,9H2,1-2H3 |
| InChI Key | VWZXRGJMLLSQBK-UHFFFAOYSA-N |
| MDL Number | MFCD22666249 |
| Molecular Formula | C11H22N6O4S2 |
| Molecular Weight | 366.4602 |
| SMILES | O=N(=O)C=C(NC)NCCSCSCCNC(=CN(=O)=O)NC |
| UNII | C21M8X095K |
| Synonyms | UNII-C21M8X095K,
C21M8X095K,
1331637-48-9,
Ranitidine hydrochloride specified impurity J [EP],
1,1'-N-(Methylenebis(sulfanediylethylene))bis(N'-methyl-2-nitroethene-1,1-diamine),
Ranitidine EP Impurity J,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.455g/mol |
| Monoisotopic Mass | 366.114g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 190A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number