| CAS Number | 1172845-35-0 |
| Catalog Number | AG019M4W |
| Chemical Name | 3-{[(pyridin-3-yl)methyl]amino}-1lambda6-thiolane-1,1-dione dihydrochloride |
| IUPAC Name | 1,1-dioxo-N-(pyridin-3-ylmethyl)thiolan-3-amine;dihydrochloride |
| InChI | InChI=1S/C10H14N2O2S.2ClH/c13-15(14)5-3-10(8-15)12-7-9-2-1-4-11-6-9;;/h1-2,4,6,10,12H,3,5,7-8H2;2*1H |
| InChI Key | WGVATNRSCNWYPA-UHFFFAOYSA-N |
| MDL Number | MFCD06681165 |
| Molecular Formula | C10H16Cl2N2O2S |
| Molecular Weight | 299.2172 |
| SMILES | Cl.Cl.O=S1(CC(NCC2=CN=CC=C2)CC1)=O |
| Synonyms | 1172845-35-0,
3-[(pyridin-3-ylmethyl)amino]-1lambda6-thiolane-1,1-dione dihydrochloride,
MCULE-5945642949,
SR-01000068154,
SR-01000068154-1,
Z89269612,
3-[(pyridin-3-ylmethyl)amino]-1lambda-thiolane-1,1-dione dihydrochloride,
3-{[(pyridin-3-yl)methyl]amino}-1lambda6-thiolane-1,1-dione dihydrochloride,
N-(3-PYRIDINYLMETHYL)TETRAHYDRO-3-THIOPHENAMINE 1,1-DIOXIDE DIHYDROCHLORIDE,
307519-78-4,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.21g/mol |
| Monoisotopic Mass | 298.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number