| CAS Number | 730971-67-2 |
| Catalog Number | AG01DL6G |
| Chemical Name | 2-((1,3-Dioxoisoindolin-2-yl)methyl)benzothioamide |
| IUPAC Name | 2-[(1,3-dioxoisoindol-2-yl)methyl]benzenecarbothioamide |
| InChI | InChI=1S/C16H12N2O2S/c17-14(21)11-6-2-1-5-10(11)9-18-15(19)12-7-3-4-8-13(12)16(18)20/h1-8H,9H2,(H2,17,21) |
| InChI Key | LSEXVIPCHAGILV-UHFFFAOYSA-N |
| MDL Number | MFCD04973318 |
| Molecular Formula | C16H12N2O2S |
| Molecular Weight | 296.3437 |
| SMILES | C12C(=O)N(C(=O)C=1C=CC=C2)CC1=C(C(N)=S)C=CC=C1 |
| Synonyms | 2-(Phthalimidomethyl)thiobenzamide,
730971-67-2,
2-(phthalimido-methyl)-thiobenzamide,
2-((1,3-Dioxoisoindolin-2-yl)methyl)benzothioamide,
AC1M11KW,
CTK7D3842,
ZINC2540599,
MFCD04973318,
AKOS000179885,
2-[(1,3-dioxoisoindol-2-yl)methyl]benzenecarbothioamide,
ZINC02540599,
CID2060894,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.344g/mol |
| Monoisotopic Mass | 296.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number