Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide
TL;DR: Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide (CAS 111915-74-3) is a chemical compound with molecular formula C6H13IN2S and molecular weight 271.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N'-prop-2-enylcarbamimidothioate;hydroiodide
Also Known As: N-Allyl-S-ethylisothiuronium iodide, 1-Allyl-2-ethyl-2-thiopseudourea hydriodide, 2-Propenylcarbamimidothioic acid ethyl ester monohydriodide, Pseudourea, 1-allyl-2-ethyl-2-thio-, hydriodide, Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide
Technical Specifications
| Molecular Formula | C6H13IN2S |
| Molecular Weight | 271.9844 g/mol |
| XLogP | 1.8582 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.9844 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | CCSC(=NCC=C)N.I |
| InChIKey | PGEQGGNCZZIUQO-UHFFFAOYSA-N |
Chemical Property Profile of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide
Property Insights of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide
The XLogP value of 1.8582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide?
The CAS number of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide is 111915-74-3.
What is the molecular formula of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide?
The molecular formula of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide is C6H13IN2S.
What is the molecular weight of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide?
The molecular weight of Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide is 271.9844 g/mol.
Where can I buy Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide?
You can request a quote for Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide?
Yes, CoreyChem provides custom synthesis services for Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.