S-phenyl 3,5-dinitrobenzenecarbothioate
TL;DR: S-phenyl 3,5-dinitrobenzenecarbothioate (CAS 24197-85-1) is a chemical compound with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 3,5-dinitrobenzenecarbothioate
Also Known As: S-phenyl 3,5-dinitrobenzenecarbothioate, 3,5-Dinitrothiobenzoic acid S-phenyl ester, S-Phenyl 3,5-dinitrobenzene-1-carbothioate, J3.592.905C, (3,5-DINITROPHENYL)(PHENYLSULFANYL)METHANONE
| Molecular Formula | C13H8N2O5S |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.01538 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 24197-85-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IFHMYOJKPRHZCR-UHFFFAOYSA-N |
Product Overview
S-phenyl 3,5-dinitrobenzenecarbothioate (CAS 24197-85-1), with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol. IUPAC: S-phenyl 3,5-dinitrobenzenecarbothioate.
Chemical Property Profile of S-phenyl 3,5-dinitrobenzenecarbothioate
Property Insights of S-phenyl 3,5-dinitrobenzenecarbothioate
The XLogP value of 3.5 indicates that S-phenyl 3,5-dinitrobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-phenyl 3,5-dinitrobenzenecarbothioate. Following Lipinski's Rule of Five, S-phenyl 3,5-dinitrobenzenecarbothioate has 0 hydrogen bond donor(s) and 6 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 S-phenyl 3,5-dinitrobenzenecarbothioate?
The CAS number of S-phenyl 3,5-dinitrobenzenecarbothioate is 24197-85-1.
What is the molecular formula of S-phenyl 3,5-dinitrobenzenecarbothioate?
The molecular formula of S-phenyl 3,5-dinitrobenzenecarbothioate is C13H8N2O5S.
What is the molecular weight of S-phenyl 3,5-dinitrobenzenecarbothioate?
The molecular weight of S-phenyl 3,5-dinitrobenzenecarbothioate is 304.02 g/mol.
Where can I buy S-phenyl 3,5-dinitrobenzenecarbothioate?
You can request a quote for S-phenyl 3,5-dinitrobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 3,5-dinitrobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 3,5-dinitrobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.