| CAS Number | 874791-10-3 |
| Catalog Number | AG004I6Q(AGN-PC-0VE0VI) |
| Chemical Name | 3,5-difluorobenzene-1-carbothioamide |
| IUPAC Name | 3,5-difluorobenzenecarbothioamide |
| InChI | InChI=1S/C7H5F2NS/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11) |
| InChI Key | UVKMTQYRQXSOOI-UHFFFAOYSA-N |
| MDL Number | MFCD04036082 |
| Molecular Formula | C7H5F2NS |
| Molecular Weight | 173.1831 |
| SMILES | NC(C1=CC(F)=CC(F)=C1)=S |
| Synonyms | 874791-10-3,
3,5-Difluorobenzothioamide,
3,5-DIFLUOROTHIOBENZAMIDE,
MFCD04036082,
SCHEMBL8333340,
CTK5F8508,
DTXSID20675476,
ZINC2523419,
Benzenecarbothioamide,3,5-difluoro-,
3,5-Difluorobenzene-1-carbothioamide,
AKOS010913814,
DB-028051,
FT-0721555,
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| Complexity | 153 |
| 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
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Certificate of Analysis
Lot Number