Pseudourea, 2-cinnamyl-2-thio-, hydrochloride
TL;DR: Pseudourea, 2-cinnamyl-2-thio-, hydrochloride (CAS 2547-91-3) is a chemical compound with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-phenylprop-2-enyl] carbamimidothioate;hydrochloride
Also Known As: Pseudourea, 2-cinnamyl-2-thio-, hydrochloride, 2-(1-Phenyl-propen-3-yl)-2-thiopseudourea hydrochloride, Pseudourea, 2-(1-phenylpropen-3-yl)-2-thio-, hydrochloride, Pseudourea, 2-cinnamyl-2-thio-, monohydrochloride, [(E)-3-phenylprop-2-enyl] carbamimidothioate hydrochloride
| Molecular Formula | C10H13ClN2S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.74827 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0488 |
| Heavy Atoms | 14 |
| Complexity | 298.25012 |
Chemical Identifiers
| CAS Number | 2547-91-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC(=N)N.Cl |
Product Overview
Pseudourea, 2-cinnamyl-2-thio-, hydrochloride (CAS 2547-91-3), with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] carbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride
Property Insights of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride
The XLogP value of 2.74827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-cinnamyl-2-thio-, hydrochloride. With a topological polar surface area (TPSA) of 49.87 Ų, Pseudourea, 2-cinnamyl-2-thio-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 2-cinnamyl-2-thio-, hydrochloride 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
Frequently Asked Questions
What is the CAS number of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride?
The CAS number of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride is 2547-91-3.
What is the molecular formula of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride?
The molecular formula of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride is C10H13ClN2S.
What is the molecular weight of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride?
The molecular weight of Pseudourea, 2-cinnamyl-2-thio-, hydrochloride is 228.05 g/mol.
Where can I buy Pseudourea, 2-cinnamyl-2-thio-, hydrochloride?
You can request a quote for Pseudourea, 2-cinnamyl-2-thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-cinnamyl-2-thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-cinnamyl-2-thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.