1-Acetyl-3-phenylamidine thiocarbamide
TL;DR: 1-Acetyl-3-phenylamidine thiocarbamide (CAS 78685-98-0) is a chemical compound with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(phenylcarbamothioyl)acetamide;hydrochloride
Also Known As: 1-Acetyl-3-phenylamidine thiocarbamide, N-(phenylcarbamothioyl)acetamide;hydrochloride, N-(phenylcarbamothioyl)acetamide hydrochloride, Acetamide, N-((phenylamino)thioxomethyl)-, monohydrochloride, N-(Phenylcarbamothioyl)acetamide--hydrogen chloride (1/1)
| Molecular Formula | C9H11ClN2OS |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.9413 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.02806 |
| Heavy Atoms | 14 |
| Complexity | 315.8478 |
Chemical Identifiers
| CAS Number | 78685-98-0 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=CC=C1.Cl |
Product Overview
1-Acetyl-3-phenylamidine thiocarbamide (CAS 78685-98-0), with molecular formula C9H11ClN2OS and molecular weight 230.03 g/mol. IUPAC: N-(phenylcarbamothioyl)acetamide;hydrochloride.
Chemical Property Profile of 1-Acetyl-3-phenylamidine thiocarbamide
Property Insights of 1-Acetyl-3-phenylamidine thiocarbamide
The XLogP value of 1.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-phenylamidine thiocarbamide. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Acetyl-3-phenylamidine thiocarbamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3-phenylamidine thiocarbamide 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 1-Acetyl-3-phenylamidine thiocarbamide?
The CAS number of 1-Acetyl-3-phenylamidine thiocarbamide is 78685-98-0.
What is the molecular formula of 1-Acetyl-3-phenylamidine thiocarbamide?
The molecular formula of 1-Acetyl-3-phenylamidine thiocarbamide is C9H11ClN2OS.
What is the molecular weight of 1-Acetyl-3-phenylamidine thiocarbamide?
The molecular weight of 1-Acetyl-3-phenylamidine thiocarbamide is 230.03 g/mol.
Where can I buy 1-Acetyl-3-phenylamidine thiocarbamide?
You can request a quote for 1-Acetyl-3-phenylamidine thiocarbamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3-phenylamidine thiocarbamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-phenylamidine thiocarbamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.