| CAS Number | 1256482-73-1 |
| Catalog Number | AG009DAS(AGN-PC-0WOLRP) |
| Chemical Name | 4-Fluoro-2-methyl-thiobenzamide |
| IUPAC Name | 4-fluoro-2-methylbenzenecarbothioamide |
| InChI | InChI=1S/C8H8FNS/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | CIVOYVGIXSEIKD-UHFFFAOYSA-N |
| MDL Number | MFCD09757564 |
| Molecular Formula | C8H8FNS |
| Molecular Weight | 169.2192 |
| SMILES | CC1=C(C(N)=S)C=CC(F)=C1 |
| Synonyms | 1256482-73-1,
4-FLUORO-2-METHYL-THIOBENZAMIDE,
4-Fluoro-2-methyl(thiobenzamide),
MFCD09757564,
4-fluoro-2-methylbenzene-1-carbothioamide,
SCHEMBL6894995,
CTK7B8649,
ZINC44960011,
AKOS006329045,
4-fluoro-2-methylbenzenecarbothioamide,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.217g/mol |
| Monoisotopic Mass | 169.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number