| CAS Number | 351-82-6 |
| Catalog Number | AG00I6YC(AGN-PC-0WOI3H) |
| Chemical Name | 2-(4-fluorophenyl)ethanethioamide |
| IUPAC Name | 2-(4-fluorophenyl)ethanethioamide |
| InChI | InChI=1S/C8H8FNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11) |
| InChI Key | NXWUFNHIHOKJBV-UHFFFAOYSA-N |
| MDL Number | MFCD09814508 |
| Molecular Formula | C8H8FNS |
| Molecular Weight | 169.2192 |
| SMILES | NC(CC1=CC=C(F)C=C1)=S |
| Synonyms | 2-(4-fluorophenyl)ethanethioamide,
351-82-6,
AC1Q500O,
SCHEMBL6895007,
CTK7D3867,
ZINC19270234,
AKOS000152369,
MCULE-3834710706,
NE18091,
EN300-36372,
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| Complexity | 141 |
| 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 | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number