![3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) structure](/static/products/590/590380-36-2.png)
3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)
TL;DR: 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) (CAS 590380-36-2) is a chemical compound with molecular formula C21H23ClN2O2S3 and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioamide
Also Known As: 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI), 3-thiazolidinecarbothioamide,N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butyn-1-yl)-2-thienyl]-, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioamide
| Molecular Formula | C21H23ClN2O2S3 |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 5.2245 |
| Topological Polar Surface Area | 44.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.061 |
| Heavy Atoms | 29 |
| Complexity | 948.88824 |
Chemical Identifiers
| CAS Number | 590380-36-2 |
|---|---|
| SMILES | CC(C)(CO)C#CC1=CC=C(S1)C2N(CCS2)C(=S)NC3=CC(=C(C=C3)OC)Cl |
Product Overview
3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) (CAS 590380-36-2), with molecular formula C21H23ClN2O2S3 and molecular weight 466.06 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioamide.
Chemical Property Profile of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)
Property Insights of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)
The XLogP value of 5.2245 indicates that 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.73 Ų, 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)?
The CAS number of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) is 590380-36-2.
What is the molecular formula of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)?
The molecular formula of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) is C21H23ClN2O2S3.
What is the molecular weight of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)?
The molecular weight of 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) is 466.06 g/mol.
Where can I buy 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)?
You can request a quote for 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.