| CAS Number | 5553-26-4 |
| Catalog Number | AG00J3HO(AGN-PC-09OG1Y) |
| Chemical Name | N-benzyltetrahydro-3-thiophenamine 1,1-dioxide hydrochloride |
| IUPAC Name | N-benzyl-1,1-dioxothiolan-3-amine;hydrochloride |
| InChI | InChI=1S/C11H15NO2S.ClH/c13-15(14)7-6-11(9-15)12-8-10-4-2-1-3-5-10;/h1-5,11-12H,6-9H2;1H |
| InChI Key | MQHJLOORBPGTCO-UHFFFAOYSA-N |
| MDL Number | MFCD00150751 |
| Molecular Formula | C11H16ClNO2S |
| Molecular Weight | 261.7682 |
| SMILES | S1(CCC(C1)NCC1=CC=CC=C1)(=O)=O.Cl |
| Synonyms | 5553-26-4,
N-Benzyltetrahydro-3-thiophenamine 1,1-dioxide hydrochloride,
benzyl-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amine hydrochloride,
CTK7I2291,
N-benzyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride,
AKOS016397717,
MCULE-5509380527,
TR-041749,
EN300-10416,
3-(benzylamino)-1lambda-thiolane-1,1-dione hydrochloride,
AC1Q3EUQ,
N-benzyl-1,1-dioxothiolan-3-amine;hydrochloride,
3-(benzylamino)-1$l^{6}-thiolane-1,1-dione hydrochloride,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.059028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.77g/mol |
| Monoisotopic Mass | 261.059028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number