| CAS Number | 1153271-82-9 |
| Catalog Number | AG01EMMQ |
| Chemical Name | 3-fluoro-4-hydroxybenzene-1-carbothioamide |
| IUPAC Name | 3-fluoro-4-hydroxybenzenecarbothioamide |
| InChI | InChI=1S/C7H6FNOS/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3,10H,(H2,9,11) |
| InChI Key | NJLAXIAWOZBWNN-UHFFFAOYSA-N |
| MDL Number | MFCD12110579 |
| Molecular Formula | C7H6FNOS |
| Molecular Weight | 171.192 |
| SMILES | NC(C1=CC(F)=C(O)C=C1)=S |
| Synonyms | 3-fluoro-4-hydroxybenzene-1-carbothioamide,
1153271-82-9,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.189g/mol |
| Monoisotopic Mass | 171.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number