Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)
TL;DR: Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) (CAS 23353-92-6) is a chemical compound with molecular formula C14H14N4O5S and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;2,4-dinitrophenol
Also Known As: benzyl carbamimidothioate- 2,4-dinitrophenol(1:1), benzyl carbamimidothioate; 2,4-dinitrophenol, Benzyl carbamimidothioate-2,4-dinitrophenol(1:1), Benzyl carbamimidothioate--2,4-dinitrophenol (1/1)
| Molecular Formula | C14H14N4O5S |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 3.02187 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.06848 |
| Heavy Atoms | 24 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 23353-92-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | GTCZTZAHXDDGPQ-UHFFFAOYSA-N |
Product Overview
Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) (CAS 23353-92-6), with molecular formula C14H14N4O5S and molecular weight 350.07 g/mol. IUPAC: benzyl carbamimidothioate;2,4-dinitrophenol.
Chemical Property Profile of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)
Property Insights of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)
The XLogP value of 3.02187 indicates that Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) has 3 hydrogen bond donor(s) and 7 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 Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)?
The CAS number of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) is 23353-92-6.
What is the molecular formula of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)?
The molecular formula of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) is C14H14N4O5S.
What is the molecular weight of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)?
The molecular weight of Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) is 350.07 g/mol.
Where can I buy Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)?
You can request a quote for Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl carbamimidothioate-2,4-dinitrophenol(1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzyl carbamimidothioate-2,4-dinitrophenol(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.