1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
TL;DR: 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea (CAS 34990-03-9) is a chemical compound with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
Also Known As: 1-benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea, 1-benzyl-3-(6-ethoxybenzo[d]thiazol-2-yl)thiourea, N-benzyl-N'-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
| Molecular Formula | C17H17N3OS2 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 4.1816 |
| Topological Polar Surface Area | 46.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0813 |
| Heavy Atoms | 23 |
| Complexity | 801.9635 |
Chemical Identifiers
| CAS Number | 34990-03-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NCC3=CC=CC=C3 |
Product Overview
1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea (CAS 34990-03-9), with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol. IUPAC: 1-benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
Property Insights of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
The XLogP value of 4.1816 indicates that 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.18 Ų, 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea has 2 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-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea?
The CAS number of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea is 34990-03-9.
What is the molecular formula of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea?
The molecular formula of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea is C17H17N3OS2.
What is the molecular weight of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea?
The molecular weight of 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea is 343.08 g/mol.
Where can I buy 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea?
You can request a quote for 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.