Pseudourea, 2-benzyl-2-thio-, monopicrate
TL;DR: Pseudourea, 2-benzyl-2-thio-, monopicrate (CAS 23569-75-7) is a chemical compound with molecular formula C14H13N5O7S and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;2,4,6-trinitrophenol
Also Known As: Benzyl thiouronium picrate, 2-Benzyl-2-thiopseudourea picrate, Pseudourea, 2-benzyl-2-thio-, monopicrate, benzyl carbamimidothioate- 2,4,6-trinitrophenol(1:1), benzyl carbamimidothioate,2,4,6-trinitrophenol
| Molecular Formula | C14H13N5O7S |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 2.93007 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.05356 |
| Heavy Atoms | 27 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 23569-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ABQUNZOFJBBBIA-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-benzyl-2-thio-, monopicrate (CAS 23569-75-7), with molecular formula C14H13N5O7S and molecular weight 395.05 g/mol. IUPAC: benzyl carbamimidothioate;2,4,6-trinitrophenol.
Chemical Property Profile of Pseudourea, 2-benzyl-2-thio-, monopicrate
Property Insights of Pseudourea, 2-benzyl-2-thio-, monopicrate
The XLogP value of 2.93007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-benzyl-2-thio-, monopicrate. The TPSA of 233.0 Ų indicates high polarity, suggesting Pseudourea, 2-benzyl-2-thio-, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-benzyl-2-thio-, monopicrate has 3 hydrogen bond donor(s) and 9 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-benzyl-2-thio-, monopicrate?
The CAS number of Pseudourea, 2-benzyl-2-thio-, monopicrate is 23569-75-7.
What is the molecular formula of Pseudourea, 2-benzyl-2-thio-, monopicrate?
The molecular formula of Pseudourea, 2-benzyl-2-thio-, monopicrate is C14H13N5O7S.
What is the molecular weight of Pseudourea, 2-benzyl-2-thio-, monopicrate?
The molecular weight of Pseudourea, 2-benzyl-2-thio-, monopicrate is 395.05 g/mol.
Where can I buy Pseudourea, 2-benzyl-2-thio-, monopicrate?
You can request a quote for Pseudourea, 2-benzyl-2-thio-, monopicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-benzyl-2-thio-, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-benzyl-2-thio-, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.