5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile
TL;DR: 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile (CAS 287196-68-3) is a chemical compound with molecular formula C14H16N3O3PS2 and molecular weight 369.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile
Also Known As: 3-[(diethoxyphosphorothioyl)oxy]-5-(phenylimino)-2,5-dihydroisothiazole-4-carbonitrile, 5-anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile, 4-cyano-5-(phenylimino)-2H-1,2-thiazol-3-yl ethyl ethoxy(sulfanylidene)phosphonite
| Molecular Formula | C14H16N3O3PS2 |
|---|---|
| Molecular Weight | 369.04 g/mol |
| LogP | 4.43468 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.03708 |
| Heavy Atoms | 23 |
| Complexity | 720.6139 |
Chemical Identifiers
| CAS Number | 287196-68-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NSC(=C1C#N)NC2=CC=CC=C2 |
Product Overview
5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile (CAS 287196-68-3), with molecular formula C14H16N3O3PS2 and molecular weight 369.04 g/mol. IUPAC: 5-anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile
Property Insights of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile
The XLogP value of 4.43468 indicates that 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 8 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 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile?
The CAS number of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile is 287196-68-3.
What is the molecular formula of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile is C14H16N3O3PS2.
What is the molecular weight of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile is 369.04 g/mol.
Where can I buy 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-3-diethoxyphosphinothioyloxy-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.