Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
TL;DR: Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- (CAS 6631-87-4) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline
Also Known As: NCIOpen2_002450, ANILINE, N-(p-CHLOROPHENYLTHIOMETHYL)-p-NITRO-, N-(p-Chlorophenylthiomethyl)-p-nitroaniline, N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline, Aniline, N-(((p-chlorophenyl)thio)methyl)-p-nitro-
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 6631-87-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NCSC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | OWRLOGVOPJWMPD-UHFFFAOYSA-N |
Product Overview
Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- (CAS 6631-87-4), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline.
Chemical Property Profile of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
Property Insights of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
The XLogP value of 4.7 indicates that Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-. Following Lipinski's Rule of Five, Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- has 1 hydrogen bond donor(s) and 4 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 Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-?
The CAS number of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- is 6631-87-4.
What is the molecular formula of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-?
The molecular formula of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- is C13H11ClN2O2S.
What is the molecular weight of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-?
The molecular weight of Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- is 294.02 g/mol.
Where can I buy Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-?
You can request a quote for Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(p-chlorophenylthiomethyl)-p-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.