1,3-Dibenzyl-1-(2-cyanoethyl)thiourea
TL;DR: 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea (CAS 371220-08-5) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibenzyl-1-(2-cyanoethyl)thiourea
Also Known As: 1,3-dibenzyl-1-(2-cyanoethyl)thiourea, N,N'-dibenzyl-N-(2-cyanoethyl)thiourea
| Molecular Formula | C18H19N3S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 3.47698 |
| Topological Polar Surface Area | 39.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.12997 |
| Heavy Atoms | 22 |
| Complexity | 619.78546 |
Chemical Identifiers
| CAS Number | 371220-08-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)N(CCC#N)CC2=CC=CC=C2 |
Product Overview
1,3-Dibenzyl-1-(2-cyanoethyl)thiourea (CAS 371220-08-5), with molecular formula C18H19N3S and molecular weight 309.13 g/mol. IUPAC: 1,3-dibenzyl-1-(2-cyanoethyl)thiourea.
Chemical Property Profile of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea
Property Insights of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea
The XLogP value of 3.47698 indicates that 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.06 Ų, 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea has 1 hydrogen bond donor(s) and 2 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 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea?
The CAS number of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea is 371220-08-5.
What is the molecular formula of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea?
The molecular formula of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea is C18H19N3S.
What is the molecular weight of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea?
The molecular weight of 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea is 309.13 g/mol.
Where can I buy 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea?
You can request a quote for 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibenzyl-1-(2-cyanoethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.