TL;DR: S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate (CAS 1422515-86-3) is a chemical compound with molecular formula C8H17N3O2S and molecular weight 219.10414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate
Also Known As: S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate, 2-(Dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate, 2-(Dimethylamino)ethyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate #, Ethanimidothioic acid, 2-a(dimethylamino)a-aN-ahydroxy-a2-aoxo-a, 2-a(dimethylamino)aethyl ester
| Molecular Formula | C8H17N3O2S |
| Molecular Weight | 219.10414 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.10414 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CN(C)CCS/C(=N\O)/C(=O)N(C)C |
| InChIKey | VCLDRJHBZHEPNO-CLFYSBASSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate. Following Lipinski's Rule of Five, S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate is 1422515-86-3.
The molecular formula of S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate is C8H17N3O2S.
The molecular weight of S-[2-[N,N-Dimethylamino]ethyl]N,N-dimethylcarbamoyl thiocarbohydroximate is 219.10414 g/mol.
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