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Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-
TL;DR: Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- (CAS 127923-96-0) is a chemical compound with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(4-nitrophenyl)sulfanylaniline
Also Known As: 4-Amino-3,4'-dinitrodiphenylsulfide, 2-nitro-4-(4-nitrophenyl)sulfanylaniline, Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-, 4-amino-3,4'-dinitrodiphenyl sulfide, 2-Nitro-4-[(4-nitrophenyl)sulfanyl]aniline
| Molecular Formula | C12H9N3O4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.03137 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 127923-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC2=CC(=C(C=C2)N)[N+](=O)[O-] |
| InChIKey | CCZYAADVWIVMMQ-UHFFFAOYSA-N |
Product Overview
Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- (CAS 127923-96-0), with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol. IUPAC: 2-nitro-4-(4-nitrophenyl)sulfanylaniline.
Chemical Property Profile of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-
Property Insights of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-
The XLogP value of 3.1 indicates that Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- 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, 2-nitro-4-[(4-nitrophenyl)thio]-?
The CAS number of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- is 127923-96-0.
What is the molecular formula of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-?
The molecular formula of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- is C12H9N3O4S.
What is the molecular weight of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-?
The molecular weight of Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- is 291.03 g/mol.
Where can I buy Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-?
You can request a quote for Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-nitro-4-[(4-nitrophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.