Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide
TL;DR: Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide (CAS 108759-38-2) is a chemical compound with molecular formula C8H11IN2S2 and molecular weight 325.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylsulfanylmethyl carbamimidothioate;hydroiodide
Also Known As: Phenylthiomethylisothiuronium iodide, 2-((Phenylthio)methyl)-2-thiopseudourea hydriodide, Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide, phenylsulfanylmethyl carbamimidothioate hydroiodide, (Phenylsulfanyl)methyl carbamimidothioate--hydrogen iodide (1/1)
| Molecular Formula | C8H11IN2S2 |
|---|---|
| Molecular Weight | 325.94 g/mol |
| LogP | 2.98087 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.94083 |
| Heavy Atoms | 13 |
| Complexity | 253.58075 |
Chemical Identifiers
| CAS Number | 108759-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCSC(=N)N.I |
Product Overview
Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide (CAS 108759-38-2), with molecular formula C8H11IN2S2 and molecular weight 325.94 g/mol. IUPAC: phenylsulfanylmethyl carbamimidothioate;hydroiodide.
Chemical Property Profile of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide
Property Insights of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide
The XLogP value of 2.98087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide. With a topological polar surface area (TPSA) of 49.87 Ų, Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide 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 Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide?
The CAS number of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide is 108759-38-2.
What is the molecular formula of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide?
The molecular formula of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide is C8H11IN2S2.
What is the molecular weight of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide?
The molecular weight of Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide is 325.94 g/mol.
Where can I buy Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide?
You can request a quote for Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-((phenylthio)methyl)-2-thio-, hydriodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.