| CAS Number | 1153271-13-6 |
| Catalog Number | AG01BFP1 |
| Chemical Name | 4-Ethoxy-3-fluorobenzene-1-carbothioamide |
| IUPAC Name | 4-ethoxy-3-fluorobenzenecarbothioamide |
| InChI | InChI=1S/C9H10FNOS/c1-2-12-8-4-3-6(9(11)13)5-7(8)10/h3-5H,2H2,1H3,(H2,11,13) |
| InChI Key | HVYILDYOJGBTHI-UHFFFAOYSA-N |
| MDL Number | MFCD12110542 |
| Molecular Formula | C9H10FNOS |
| Molecular Weight | 199.2452 |
| SMILES | CCOC1=C(F)C=C(C(N)=S)C=C1 |
| Synonyms | 4-ethoxy-3-fluorobenzene-1-carbothioamide,
1153271-13-6,
STL453444,
ZINC36887487,
4-ethoxy-3-fluorobenzenecarbothioamide,
AKOS009851255,
NE27900,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.243g/mol |
| Monoisotopic Mass | 199.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number