| CAS Number | 1248952-37-5 |
| Catalog Number | AG01BTZ7 |
| Chemical Name | 2-Fluoro-4-methylbenzene-1-carbothioamide |
| IUPAC Name | 2-fluoro-4-methylbenzenecarbothioamide |
| InChI | InChI=1S/C8H8FNS/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11) |
| InChI Key | VKGRYBDYNCGUJT-UHFFFAOYSA-N |
| MDL Number | MFCD09757563 |
| Molecular Formula | C8H8FNS |
| Molecular Weight | 169.2192 |
| SMILES | CC1=CC(F)=C(C(N)=S)C=C1 |
| Synonyms | 2-fluoro-4-methylbenzene-1-carbothioamide,
2-FLUORO-4-METHYL-THIOBENZAMIDE,
1248952-37-5,
SCHEMBL6843558,
CTK6B6984,
VKGRYBDYNCGUJT-UHFFFAOYSA-N,
ZINC44960010,
2-fluoro-4-methylbenzenecarbothioamide,
AKOS011592582,
|
| 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