Phenacyl carbamimidothioate
TL;DR: Phenacyl carbamimidothioate (CAS 6582-42-9) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl carbamimidothioate
Also Known As: phenacyl carbamimidothioate, 2-oxo-2-phenylethyl carbamimidothioate, 2-(carbamimidoylsulfanyl)-1-phenylethan-1-one
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6582-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC(=N)N |
| InChIKey | VKTXBIXUWZSASY-UHFFFAOYSA-N |
Product Overview
Phenacyl carbamimidothioate (CAS 6582-42-9), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: phenacyl carbamimidothioate.
Chemical Property Profile of Phenacyl carbamimidothioate
Property Insights of Phenacyl carbamimidothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacyl carbamimidothioate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl carbamimidothioate. Following Lipinski's Rule of Five, Phenacyl carbamimidothioate has 2 hydrogen bond donor(s) and 3 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 Phenacyl carbamimidothioate?
The CAS number of Phenacyl carbamimidothioate is 6582-42-9.
What is the molecular formula of Phenacyl carbamimidothioate?
The molecular formula of Phenacyl carbamimidothioate is C9H10N2OS.
What is the molecular weight of Phenacyl carbamimidothioate?
The molecular weight of Phenacyl carbamimidothioate is 194.05 g/mol.
Where can I buy Phenacyl carbamimidothioate?
You can request a quote for Phenacyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.