![1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea structure](/static/products/398/39876-66-9.png)
1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea
TL;DR: 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea (CAS 39876-66-9) is a chemical compound with molecular formula C14H18N4OS and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea
Also Known As: 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea, (2E)-1-(2-cyanoethyl)-2-(4-propoxybenzylidene)hydrazinecarbothioamide, (E)-1-(2-cyanoethyl)-2-(4-propoxybenzylidene)hydrazinecarbothioamide, (2E)-1-(2-Cyanoethyl)-2-[(4-propoxyphenyl)methylidene]hydrazine-1-carbothioamide
| Molecular Formula | C14H18N4OS |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 2.26858 |
| Topological Polar Surface Area | 74.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.12012 |
| Heavy Atoms | 20 |
| Complexity | 492.89053 |
Chemical Identifiers
| CAS Number | 39876-66-9 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=N/N(CCC#N)C(=S)N |
Product Overview
1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea (CAS 39876-66-9), with molecular formula C14H18N4OS and molecular weight 290.12 g/mol. IUPAC: 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea
Property Insights of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea
The XLogP value of 2.26858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea. The TPSA of 74.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea 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 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea?
The CAS number of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea is 39876-66-9.
What is the molecular formula of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea?
The molecular formula of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea is C14H18N4OS.
What is the molecular weight of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea?
The molecular weight of 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea is 290.12 g/mol.
Where can I buy 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea?
You can request a quote for 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-cyanoethyl)-1-[(E)-(4-propoxyphenyl)methylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.