(Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate
TL;DR: (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate (CAS 118068-54-5) is a chemical compound with molecular formula C13H12BrN3OS and molecular weight 336.98846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-bromophenyl)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate
Also Known As: (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate, [2-(4-bromophenyl)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate, 1-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-N-cyano-N'-prop-2-enyl-methanimidamide
Technical Specifications
| Molecular Formula | C13H12BrN3OS |
| Molecular Weight | 336.98846 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.98846 Da |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
| SMILES | C=CCN=C(NC#N)SCC(=O)C1=CC=C(C=C1)Br |
| InChIKey | KTUPMUHBBHJPBM-UHFFFAOYSA-N |
Chemical Property Profile of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate
Property Insights of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate
The XLogP value of 3.6 indicates that (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate. Following Lipinski's Rule of Five, (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate?
The CAS number of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate is 118068-54-5.
What is the molecular formula of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate?
The molecular formula of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate is C13H12BrN3OS.
What is the molecular weight of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate?
The molecular weight of (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate is 336.98846 g/mol.
Where can I buy (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate?
You can request a quote for (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate?
Yes, CoreyChem provides custom synthesis services for (Z)-2-(4-bromophenyl)-2-oxoethyl N-allyl-N'-cyanocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.