C11H5Cl3N4O4S
TL;DR: C11H5Cl3N4O4S (CAS 369609-74-5) is a chemical compound with molecular formula C11H5Cl3N4O4S and molecular weight 393.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-[(E)-(3,4,5-trichlorothiophen-2-yl)methylideneamino]aniline
Also Known As: (2E)-1-(3,5-dinitrophenyl)-2-[(3,4,5-trichlorothiophen-2-yl)methylidene]hydrazine, (E)-1-(3,5-dinitrophenyl)-2-((3,4,5-trichlorothiophen-2-yl)methylene)hydrazine
| Molecular Formula | C11H5Cl3N4O4S |
|---|---|
| Molecular Weight | 393.91 g/mol |
| LogP | 4.9707 |
| Topological Polar Surface Area | 110.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.9097 |
| Heavy Atoms | 23 |
| Complexity | 791.5932 |
Chemical Identifiers
| CAS Number | 369609-74-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/C2=C(C(=C(S2)Cl)Cl)Cl |
Product Overview
C11H5Cl3N4O4S (CAS 369609-74-5), with molecular formula C11H5Cl3N4O4S and molecular weight 393.91 g/mol. IUPAC: 3,5-dinitro-N-[(E)-(3,4,5-trichlorothiophen-2-yl)methylideneamino]aniline.
Chemical Property Profile of C11H5Cl3N4O4S
Property Insights of C11H5Cl3N4O4S
The XLogP value of 4.9707 indicates that C11H5Cl3N4O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.67 Ų falls within the moderate polarity range, balancing permeability and solubility for C11H5Cl3N4O4S. Following Lipinski's Rule of Five, C11H5Cl3N4O4S has 1 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 C11H5Cl3N4O4S?
The CAS number of C11H5Cl3N4O4S is 369609-74-5.
What is the molecular formula of C11H5Cl3N4O4S?
The molecular formula of C11H5Cl3N4O4S is C11H5Cl3N4O4S.
What is the molecular weight of C11H5Cl3N4O4S?
The molecular weight of C11H5Cl3N4O4S is 393.91 g/mol.
Where can I buy C11H5Cl3N4O4S?
You can request a quote for C11H5Cl3N4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H5Cl3N4O4S?
Yes, KEHONG BIO provides custom synthesis services for C11H5Cl3N4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.