TL;DR: ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- (CAS 5786-51-6) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-4-(4-nitrophenyl)sulfanylaniline
Also Known As: N-ethyl-4-(4-nitrophenyl)sulfanylaniline, p-Nitro-p'-ethylaminodiphenylsulfide, p-Nitro-p'-ethylaminodiphenylsulphide, N-Ethyl-p-((p-nitrophenyl)thio)aniline, ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)-
| Molecular Formula | C14H14N2O2S |
| Molecular Weight | 274.0776 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0776 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | CCNC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RPGPTHLUEOMMRN-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- 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-ETHYL-p-((p-NITROPHENYL)THIO)-. Following Lipinski's Rule of Five, ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- is 5786-51-6.
The molecular formula of ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- is C14H14N2O2S.
The molecular weight of ANILINE, N-ETHYL-p-((p-NITROPHENYL)THIO)- is 274.0776 g/mol.
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