(E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide
TL;DR: (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide (CAS 892639-46-2) is a chemical compound with molecular formula C16H10ClN3O2S2 and molecular weight 374.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-cyanoprop-2-enethioamide
Also Known As: (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide, (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-cyanoprop-2-enethioamide
| Molecular Formula | C16H10ClN3O2S2 |
|---|---|
| Molecular Weight | 374.99 g/mol |
| LogP | 4.59248 |
| Topological Polar Surface Area | 92.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.9903 |
| Heavy Atoms | 24 |
| Complexity | 873.88153 |
Chemical Identifiers
| CAS Number | 892639-46-2 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=S)N)[N+](=O)[O-])Cl |
Product Overview
(E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide (CAS 892639-46-2), with molecular formula C16H10ClN3O2S2 and molecular weight 374.99 g/mol. IUPAC: (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide
Property Insights of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide
The XLogP value of 4.59248 indicates that (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide has 1 hydrogen bond donor(s) and 5 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 (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide?
The CAS number of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide is 892639-46-2.
What is the molecular formula of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide?
The molecular formula of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide is C16H10ClN3O2S2.
What is the molecular weight of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide?
The molecular weight of (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide is 374.99 g/mol.
Where can I buy (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide?
You can request a quote for (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-((4-chlorophenyl)thio)-3-nitrophenyl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.