| CAS Number | 1250595-91-5 |
| Catalog Number | AG01DTM0 |
| Chemical Name | 2-(2,4-Difluorophenyl)ethanethioamide |
| IUPAC Name | 2-(2,4-difluorophenyl)ethanethioamide |
| InChI | InChI=1S/C8H7F2NS/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H2,11,12) |
| InChI Key | LAJRHCZFUFWWQP-UHFFFAOYSA-N |
| MDL Number | MFCD16691334 |
| Molecular Formula | C8H7F2NS |
| Molecular Weight | 187.2097 |
| SMILES | NC(CC1=C(F)C=C(F)C=C1)=S |
| Synonyms | 2-(2,4-difluorophenyl)ethanethioamide,
1250595-91-5,
SCHEMBL19158218,
AKOS011478277,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.208g/mol |
| Monoisotopic Mass | 187.027g/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 |
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Certificate of Analysis
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