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Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-
TL;DR: Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- (CAS 54889-66-6) is a chemical compound with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylsulfanylpropyl)-2,4-dinitroaniline
Also Known As: N-[1-(Methylthio)propyl]-2,4-dinitroaniline, N-[1-(Methylsulfanyl)propyl]-2,4-dinitroaniline, N-(1-methylsulfanylpropyl)-2,4-dinitroaniline, N-[1-(methylthio)propyl ]-2,4-dinitroaniline, Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-
| Molecular Formula | C10H13N3O4S |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.06268 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 54889-66-6 |
|---|---|
| SMILES | CCC(NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])SC |
| InChIKey | VVSYRQOMDCRZNO-UHFFFAOYSA-N |
Product Overview
Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- (CAS 54889-66-6), with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol. IUPAC: N-(1-methylsulfanylpropyl)-2,4-dinitroaniline.
Chemical Property Profile of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-
Property Insights of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-
The XLogP value of 3.9 indicates that Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-. Following Lipinski's Rule of Five, Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- has 1 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 Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-?
The CAS number of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- is 54889-66-6.
What is the molecular formula of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-?
The molecular formula of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- is C10H13N3O4S.
What is the molecular weight of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-?
The molecular weight of Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- is 271.06 g/mol.
Where can I buy Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-?
You can request a quote for Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-[1-(methylthio)propyl]-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.