| CAS Number | 1176544-48-1 |
| Catalog Number | AG01FDQI(AGN-PC-3H49PO) |
| Chemical Name | 4'-Methylbiphenyl-4-thiocarboxamide |
| IUPAC Name | 4-(4-methylphenyl)benzenecarbothioamide |
| InChI | InChI=1S/C14H13NS/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9H,1H3,(H2,15,16) |
| InChI Key | JEDIPUDCVDNMJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11916212 |
| Molecular Formula | C14H13NS |
| Molecular Weight | 227.3247 |
| SMILES | C1=C(C2C=CC(C(N)=S)=CC=2)C=CC(C)=C1 |
| Synonyms | 4'-Methylbiphenyl-4-thiocarboxamide,
1176544-48-1,
4'-Methyl-[1,1'-biphenyl]-4-carbothioamide,
SCHEMBL18155128,
MFCD11916212,
ZINC32015441,
AKOS022259277,
4'-Methylbiphenyl-4-thiocarboxamide, 97%, AldrichCPR,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.325g/mol |
| Monoisotopic Mass | 227.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number