| CAS Number | 1170254-65-5 |
| Catalog Number | AG019LJX |
| Chemical Name | 3-{[(4-Methoxyphenyl)methyl]amino}-1lambda6-thiolane-1,1-dione hydrochloride |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride |
| InChI | InChI=1S/C12H17NO3S.ClH/c1-16-12-4-2-10(3-5-12)8-13-11-6-7-17(14,15)9-11;/h2-5,11,13H,6-9H2,1H3;1H |
| InChI Key | CDUGHHVJUSUBAP-UHFFFAOYSA-N |
| MDL Number | MFCD09971505 |
| Molecular Formula | C12H18ClNO3S |
| Molecular Weight | 291.7942 |
| SMILES | Cl.COC1=CC=C(CNC2CS(=O)(=O)CC2)C=C1 |
| Synonyms | 1170254-65-5,
3-{[(4-methoxyphenyl)methyl]amino}-1lambda6-thiolane-1,1-dione hydrochloride,
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(4-methoxybenzyl)amine hydrochloride,
AC1Q3C3I,
CTK7A3998,
AKOS024255003,
MCULE-5760128256,
NE41385,
EN300-31519,
Z336481626,
3-{[(4-methoxyphenyl)methyl]amino}-1??-thiolane-1,1-dione hydrochloride,
3-{[(4-methoxyphenyl)methyl]amino}-1lambda-thiolane-1,1-dione hydrochloride,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.79g/mol |
| Monoisotopic Mass | 291.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number