| CAS Number | 1094562-12-5 |
| Catalog Number | AG019VER |
| Chemical Name | 4-(5-amino-2-fluorophenyl)-1lambda6-thiomorpholine-1,1-dione |
| IUPAC Name | 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluoroaniline |
| InChI | InChI=1S/C10H13FN2O2S/c11-9-2-1-8(12)7-10(9)13-3-5-16(14,15)6-4-13/h1-2,7H,3-6,12H2 |
| InChI Key | RJBPIEKPVIDIJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11212841 |
| Molecular Formula | C10H13FN2O2S |
| Molecular Weight | 244.2858 |
| SMILES | NC1=CC(N2CCS(=O)(=O)CC2)=C(F)C=C1 |
| Synonyms | 1094562-12-5,
4-(5-amino-2-fluorophenyl)-1lambda6-thiomorpholine-1,1-dione,
AC1Q51PJ,
4-(5-amino-2-fluorophenyl)-1,
ZINC36379445,
AKOS009346151,
NE58434,
EN300-45040,
4-(5-amino-2-fluorophenyl)-1??,4-thiomorpholine-1,1-dione,
4-(5-amino-2-fluorophenyl)-1lambda-thiomorpholine-1,1-dione,
4-(5-amino-2-fluorophenyl)-1$l^{6},4-thiomorpholine-1,1-dione,
4-(5-Amino-2-fluorophenyl)-1lambda(6),4-thiomorpholine-1,1-dione, AldrichCPR,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.284g/mol |
| Monoisotopic Mass | 244.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number