2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)
TL;DR: 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) (CAS 91950-43-5) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;phenacyl carbamimidothioate
Also Known As: phenacyl carbamimidothioate, acetic acid,phenacyl carbamimidothioate, 2-oxo-2-phenylethyl carbamimidothioate acetate(1:1), acetic acid; phenacyl carbamimidothioate, Acetic acid--2-oxo-2-phenylethyl carbamimidothioate (1/1)
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.58687 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 91950-43-5 |
|---|---|
| SMILES | CC(=O)O.C1=CC=C(C=C1)C(=O)CSC(=N)N |
| InChIKey | XTWWNGZQHFCFRS-UHFFFAOYSA-N |
Product Overview
2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) (CAS 91950-43-5), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: acetic acid;phenacyl carbamimidothioate.
Chemical Property Profile of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)
Property Insights of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)
The XLogP value of 1.58687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1). The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1). Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) has 3 hydrogen bond donor(s) and 5 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 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)?
The CAS number of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) is 91950-43-5.
What is the molecular formula of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)?
The molecular formula of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) is C11H14N2O3S.
What is the molecular weight of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)?
The molecular weight of 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) is 254.07 g/mol.
Where can I buy 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)?
You can request a quote for 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl carbamimidothioate acetate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.