| CAS Number | 1354951-86-2 |
| Catalog Number | AG019T2Q(AGN-PC-0WOVRL) |
| Chemical Name | 4-(2-Aminoethyl)tetrahydro-2H-thiopyran 1,1-dioxide hydrochloride |
| IUPAC Name | 2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C7H15NO2S.ClH/c8-4-1-7-2-5-11(9,10)6-3-7;/h7H,1-6,8H2;1H |
| InChI Key | BKYZAPVJDNRLAV-UHFFFAOYSA-N |
| MDL Number | MFCD20731198 |
| Molecular Formula | C7H16ClNO2S |
| Molecular Weight | 213.7254 |
| SMILES | Cl.NCCC1CCS(CC1)(=O)=O |
| Synonyms | 1354951-86-2,
4-(2-aminoethyl)-1lambda6-thiane-1,1-dione hydrochloride,
4-(2-Aminoethyl)tetrahydro-2H-thiopyran 1,1-dioxide hydrochloride,
SCHEMBL18669238,
AKOS026744724,
MCULE-2452108833,
NE52315,
4-(2-aminoethyl)-1??-thiane-1,1-dione hydrochloride,
Z1569708989,
4-(2-aminoethyl)-1$l;{6}-thiane-1,1-dione hydrochloride,
4-(2-aminoethyl)-1$l^{6}-thiane-1,1-dione hydrochloride,
4-(2-aminoethyl)-1lambda-thiane-1,1-dione hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.72g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number