| CAS Number | 1347814-99-6 |
| Catalog Number | AG01FDIC(AGN-PC-3H4A05) |
| Chemical Name | 4'-Hydroxy-[1,1'-biphenyl]-4-carbothioamide |
| IUPAC Name | 4-(4-hydroxyphenyl)benzenecarbothioamide |
| InChI | InChI=1S/C13H11NOS/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(15)8-6-10/h1-8,15H,(H2,14,16) |
| InChI Key | VDRLZHYTPAEASC-UHFFFAOYSA-N |
| MDL Number | MFCD20265319 |
| Molecular Formula | C13H11NOS |
| Molecular Weight | 229.2975 |
| SMILES | Oc1ccc(cc1)c1ccc(cc1)C(=S)N |
| Synonyms | 4'-Hydroxybiphenyl-4-thiocarboxamide,
1347814-99-6,
4'-Hydroxy-[1,1'-biphenyl]-4-carbothioamide,
SCHEMBL18155125,
MFCD20265319,
ZINC83356892,
4'-Hydroxybiphenyl-4-thiocarboxamide, 97%, AldrichCPR,
1858241-13-0,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.297g/mol |
| Monoisotopic Mass | 229.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number