| CAS Number | 1347815-19-3 |
| Catalog Number | AG01FFAJ(AGN-PC-3H4A50) |
| Chemical Name | Anthracene-9-thiocarboxamide |
| IUPAC Name | anthracene-9-carbothioamide |
| InChI | InChI=1S/C15H11NS/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,16,17) |
| InChI Key | DPNDYWVMUNOBFU-UHFFFAOYSA-N |
| MDL Number | MFCD20265376 |
| Molecular Formula | C15H11NS |
| Molecular Weight | 237.3195 |
| SMILES | C(C1C2=CC=CC=C2C=C2C=1C=CC=C2)(=S)N |
| Synonyms | Anthracene-9-thiocarboxamide,
1347815-19-3,
Anthracene-9-carbothioamide,
SCHEMBL18155120,
MFCD20265376,
ZINC72284531,
AKOS023004893,
Anthracene-9-thiocarboxamide, 97%, AldrichCPR,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.32g/mol |
| Monoisotopic Mass | 237.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number