TL;DR: Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl- (CAS 96804-31-8) is a chemical compound with molecular formula C9H16N4S and molecular weight 212.10957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-cyanoethyl)-1-(dimethylamino)-3-prop-2-enylthiourea
Also Known As: 3-(2,2-Dimethyl-1-allylthiocarbamoylhydrazino)propionitrile, Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl-, 1-(2-Cyanoethyl)-2,2-dimethyl-N-2-propenylhydrazinecarbothioamide, 1-(2-cyanoethyl)-1-(dimethylamino)-3-prop-2-enylthiourea, 1-(2-Cyanoethyl)-2,2-dimethyl-N-(prop-2-en-1-yl)hydrazine-1-carbothioamide
| Molecular Formula | C9H16N4S |
| Molecular Weight | 212.10957 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.10957 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | CN(C)N(CCC#N)C(=S)NCC=C |
| InChIKey | MDQQODDURLZLIT-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl-. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl-. Following Lipinski's Rule of Five, Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl- is 96804-31-8.
The molecular formula of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl- is C9H16N4S.
The molecular weight of Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-2-propenyl- is 212.10957 g/mol.
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