Pseudourea, 2-benzylthio-, propiolate
TL;DR: Pseudourea, 2-benzylthio-, propiolate (CAS 73839-96-0) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;prop-2-ynoic acid
Also Known As: Pseudourea, propiolate, Pseudourea, 2-benzylthio-, propiolate, 2-Benzyl-2-thiopseudourea propiolate, 2-Propynoic acid, compd. with phenylmethyl carbamimidothioate (1:1), benzyl carbamimidothioate,prop-2-ynoic acid
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.51747 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 73839-96-0 |
|---|---|
| SMILES | C#CC(=O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | UFYUZRXEOHGPMV-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-benzylthio-, propiolate (CAS 73839-96-0), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: benzyl carbamimidothioate;prop-2-ynoic acid.
Chemical Property Profile of Pseudourea, 2-benzylthio-, propiolate
Property Insights of Pseudourea, 2-benzylthio-, propiolate
The XLogP value of 1.51747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-benzylthio-, propiolate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-benzylthio-, propiolate. Following Lipinski's Rule of Five, Pseudourea, 2-benzylthio-, propiolate has 3 hydrogen bond donor(s) and 4 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-benzylthio-, propiolate?
The CAS number of Pseudourea, 2-benzylthio-, propiolate is 73839-96-0.
What is the molecular formula of Pseudourea, 2-benzylthio-, propiolate?
The molecular formula of Pseudourea, 2-benzylthio-, propiolate is C11H12N2O2S.
What is the molecular weight of Pseudourea, 2-benzylthio-, propiolate?
The molecular weight of Pseudourea, 2-benzylthio-, propiolate is 236.06 g/mol.
Where can I buy Pseudourea, 2-benzylthio-, propiolate?
You can request a quote for Pseudourea, 2-benzylthio-, propiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-benzylthio-, propiolate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-benzylthio-, propiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.