| CAS Number | 1256483-08-5 |
| Catalog Number | AG01F70X(AGN-PC-3H496F) |
| Chemical Name | 4-[Bis (2-thiocarboxamidobenzyl)amino]-benzthiocarboxamide |
| IUPAC Name | 2-[[4-carbamothioyl-N-[(2-carbamothioylphenyl)methyl]anilino]methyl]benzenecarbothioamide |
| InChI | InChI=1S/C23H22N4S3/c24-21(28)15-9-11-18(12-10-15)27(13-16-5-1-3-7-19(16)22(25)29)14-17-6-2-4-8-20(17)23(26)30/h1-12H,13-14H2,(H2,24,28)(H2,25,29)(H2,26,30) |
| InChI Key | QOGKJGLCAGWHFL-UHFFFAOYSA-N |
| MDL Number | MFCD16658875 |
| Molecular Formula | C23H22N4S3 |
| Molecular Weight | 450.6426 |
| SMILES | NC(=S)c1ccc(cc1)N(Cc1ccccc1C(=S)N)Cc1ccccc1C(=S)N |
| Synonyms | 4-[Bis(2-thiocarbamoylbenzyl)amino]thiobenzamide,
1256483-08-5,
4-[Bis (2-thiocarboxamidobenzyl)amino]-benzthiocarboxamide,
MFCD16658875,
ZINC72284306,
|
| Complexity | 582 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.637g/mol |
| Monoisotopic Mass | 450.101g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number