| CAS Number | 1365965-61-2 |
| Catalog Number | AG019YW4 |
| Chemical Name | 3-{[(2-fluorophenyl)methyl]amino}-1lambda6-thiolane-1,1-dione hydrochloride |
| IUPAC Name | N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride |
| InChI | InChI=1S/C11H14FNO2S.ClH/c12-11-4-2-1-3-9(11)7-13-10-5-6-16(14,15)8-10;/h1-4,10,13H,5-8H2;1H |
| InChI Key | NFJVQEOOOOWUMT-UHFFFAOYSA-N |
| MDL Number | MFCD22196563 |
| Molecular Formula | C11H15ClFNO2S |
| Molecular Weight | 279.7587 |
| SMILES | Cl.FC1=C(CNC2CS(=O)(=O)CC2)C=CC=C1 |
| Synonyms | 1365965-61-2,
3-{[(2-fluorophenyl)methyl]amino}-1lambda6-thiolane-1,1-dione hydrochloride,
3-{[(2-fluorophenyl)methyl]amino}-1$l^{6}-thiolane-1,1-dione hydrochloride,
AKOS016397742,
MCULE-8127708098,
NE33725,
3-{[(2-fluorophenyl)methyl]amino}-1??-thiolane-1,1-dione hydrochloride,
3-{[(2-fluorophenyl)methyl]amino}-1lambda-thiolane-1,1-dione hydrochloride,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.754g/mol |
| Monoisotopic Mass | 279.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number