![3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile structure](/static/products/3113/311333-71-8.webp)
3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile
TL;DR: 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile (CAS 311333-71-8) is a chemical compound with molecular formula C26H30N2S3 and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: A1174/0054516, 3,5-bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile, 3,5-bis((4-(tert-butyl)benzyl)thio)isothiazole-4-carbonitrile, 3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile, 3,5-bis{[4-(tert-butyl)phenyl]methylthio}isothiazole-4-carbonitrile
| Molecular Formula | C26H30N2S3 |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 8.19438 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.1571 |
| Heavy Atoms | 31 |
| Complexity | 965.50714 |
Chemical Identifiers
| CAS Number | 311333-71-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NS2)SCC3=CC=C(C=C3)C(C)(C)C)C#N |
Product Overview
3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile (CAS 311333-71-8), with molecular formula C26H30N2S3 and molecular weight 466.16 g/mol. IUPAC: 3,5-bis[(4-tert-butylphenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile
Property Insights of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile
The XLogP value of 8.19438 indicates that 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile has 0 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 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile?
The CAS number of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile is 311333-71-8.
What is the molecular formula of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular formula of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile is C26H30N2S3.
What is the molecular weight of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular weight of 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile is 466.16 g/mol.
Where can I buy 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile?
You can request a quote for 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis[(4-tert-butylbenzyl)sulfanyl]-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.