| CAS Number | 1803581-09-0 |
| Catalog Number | AG01B1GZ(AGN-PC-0WOVEQ) |
| Chemical Name | 3-(2-aminoethyl)-1lambda6-thietane-1,1-dione hydrochloride |
| IUPAC Name | 2-(1,1-dioxothietan-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C5H11NO2S.ClH/c6-2-1-5-3-9(7,8)4-5;/h5H,1-4,6H2;1H |
| InChI Key | NFKKYPVKQYFIMN-UHFFFAOYSA-N |
| MDL Number | MFCD27980912 |
| Molecular Formula | C5H12ClNO2S |
| Molecular Weight | 185.6723 |
| SMILES | Cl.NCCC1CS(=O)(=O)C1 |
| Synonyms | 3-(2-aminoethyl)thietane 1,1-dioxide hydrochloride,
1803581-09-0,
AKOS026744454,
NE38077,
3-(2-aminoethyl)-1??-thietane-1,1-dione hydrochloride,
3-(2-aminoethyl)-1lambda-thietane-1,1-dione hydrochloride,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.666g/mol |
| Monoisotopic Mass | 185.028g/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