1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
TL;DR: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea (CAS 61600-69-9) is a chemical compound with molecular formula C18H18ClN3O2S2 and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
Also Known As: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea, 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahyd, N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
| Molecular Formula | C18H18ClN3O2S2 |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 4.97808 |
| Topological Polar Surface Area | 66.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0529 |
| Heavy Atoms | 26 |
| Complexity | 889.537 |
Chemical Identifiers
| CAS Number | 61600-69-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Cl)OC |
Product Overview
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea (CAS 61600-69-9), with molecular formula C18H18ClN3O2S2 and molecular weight 407.05 g/mol. IUPAC: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea.
Chemical Property Profile of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
Property Insights of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
The XLogP value of 4.97808 indicates that 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea. Following Lipinski's Rule of Five, 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea has 2 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 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea?
The CAS number of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea is 61600-69-9.
What is the molecular formula of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea?
The molecular formula of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea is C18H18ClN3O2S2.
What is the molecular weight of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea?
The molecular weight of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea is 407.05 g/mol.
Where can I buy 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea?
You can request a quote for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-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-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.