| CAS Number | 1803611-37-1 |
| Catalog Number | AG01B9CX |
| Chemical Name | N-(2-[(Thian-4-yl)amino]ethyl)acetamide hydrochloride |
| IUPAC Name | N-[2-(thian-4-ylamino)ethyl]acetamide;hydrochloride |
| InChI | InChI=1S/C9H18N2OS.ClH/c1-8(12)10-4-5-11-9-2-6-13-7-3-9;/h9,11H,2-7H2,1H3,(H,10,12);1H |
| InChI Key | HZIADJGPWXYSSM-UHFFFAOYSA-N |
| MDL Number | MFCD28348322 |
| Molecular Formula | C9H19ClN2OS |
| Molecular Weight | 238.7780 |
| SMILES | Cl.CC(NCCNC1CCSCC1)=O |
| Synonyms | 1803611-37-1,
N-{2-[(thian-4-yl)amino]ethyl}acetamide hydrochloride,
N-(2-((Tetrahydro-2H-thiopyran-4-yl)amino)ethyl)acetamide hydrochloride,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.774g/mol |
| Monoisotopic Mass | 238.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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