3-Allyl-2-methyl-2-thiopseudourea hydroiodide
TL;DR: 3-Allyl-2-methyl-2-thiopseudourea hydroiodide (CAS 57513-64-1) is a chemical compound with molecular formula C5H11IN2S and molecular weight 257.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-prop-2-enylcarbamimidothioate;hydroiodide
Also Known As: 3-allyl-2-methyl-2-thiopseudourea hydroiodide, S-methyl-N-allylthiopseudourea hydroiodide, methyl (allylamino)methanimidothioate hydroiodide, methyl N'-prop-2-enylcarbamimidothioate hydroiodide, methyl N'-prop-2-enylcarbamimidothioate;hydroiodide
| Molecular Formula | C5H11IN2S |
|---|---|
| Molecular Weight | 257.97 g/mol |
| LogP | 1.4681 |
| Topological Polar Surface Area | 38.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.96878 |
| Heavy Atoms | 9 |
| Complexity | 103.13112 |
Chemical Identifiers
| CAS Number | 57513-64-1 |
|---|---|
| SMILES | CSC(=NCC=C)N.I |
Product Overview
3-Allyl-2-methyl-2-thiopseudourea hydroiodide (CAS 57513-64-1), with molecular formula C5H11IN2S and molecular weight 257.97 g/mol. IUPAC: methyl N'-prop-2-enylcarbamimidothioate;hydroiodide.
Chemical Property Profile of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide
Property Insights of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide
The XLogP value of 1.4681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-2-methyl-2-thiopseudourea hydroiodide. With a topological polar surface area (TPSA) of 38.38 Ų, 3-Allyl-2-methyl-2-thiopseudourea hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-2-methyl-2-thiopseudourea hydroiodide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide?
The CAS number of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide is 57513-64-1.
What is the molecular formula of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide?
The molecular formula of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide is C5H11IN2S.
What is the molecular weight of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide?
The molecular weight of 3-Allyl-2-methyl-2-thiopseudourea hydroiodide is 257.97 g/mol.
Where can I buy 3-Allyl-2-methyl-2-thiopseudourea hydroiodide?
You can request a quote for 3-Allyl-2-methyl-2-thiopseudourea hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-2-methyl-2-thiopseudourea hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-2-methyl-2-thiopseudourea hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.