| CAS Number | 1029623-72-0 |
| Catalog Number | AG01BBZ2 |
| Chemical Name | 2,5-Difluorothiobenzamide |
| IUPAC Name | 2,5-difluorobenzenecarbothioamide |
| InChI | InChI=1S/C7H5F2NS/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11) |
| InChI Key | SUFZOIVUVDOCQQ-UHFFFAOYSA-N |
| MDL Number | MFCD09757552 |
| Molecular Formula | C7H5F2NS |
| Molecular Weight | 173.1831 |
| SMILES | NC(C1=C(F)C=CC(F)=C1)=S |
| Synonyms | 2,5-DIFLUOROTHIOBENZAMIDE,
2,5-difluorobenzene-1-carbothioamide,
1029623-72-0,
MFCD09757552,
Benzenecarbothioamide,2,5-difluoro-,
2,5-difluorobenzothioamide,
SCHEMBL84139,
2,5-difluorobenzenecarbothioamide,
CTK7B8597,
SUFZOIVUVDOCQQ-UHFFFAOYSA-N,
ZINC44960005,
AKOS012974046,
SC-61520,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.181g/mol |
| Monoisotopic Mass | 173.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number