| CAS Number | 1909318-80-4 |
| Catalog Number | AG01C6K6 |
| Chemical Name | 3-(aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride |
| IUPAC Name | (1,1-dioxothietan-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C4H9NO2S.ClH/c5-1-4-2-8(6,7)3-4;/h4H,1-3,5H2;1H |
| InChI Key | DFQLYCGEJHFJJB-UHFFFAOYSA-N |
| MDL Number | MFCD29907150 |
| Molecular Formula | C4H10ClNO2S |
| Molecular Weight | 171.6457 |
| SMILES | Cl.NCC1CS(=O)(=O)C1 |
| Synonyms | 3-(aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride,
1909318-80-4,
SCHEMBL15953145,
DFQLYCGEJHFJJB-UHFFFAOYSA-N,
(1,1-dioxothietan-3-yl)methanamine hydrochloride,
3-(aminomethyl)-1lambda-thietane-1,1-dione hydrochloride,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.639g/mol |
| Monoisotopic Mass | 171.012g/mol |
| Rotatable Bond Count | 1 |
| 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