![2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/6766/676640-63-4.webp)
2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 676640-63-4) is a chemical compound with molecular formula C20H24N2OS2 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-((4-(tert-butyl)benzyl)thio)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-tert-butylphenyl)methylsulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,5,6-trimethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 2-{[4-(tert-butyl)phenyl]methylthio}-3,5,6-trimethyl-3-hydrothiopheno[2,3-d]py rimidin-4-one
| Molecular Formula | C20H24N2OS2 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 5.20164 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.133 |
| Heavy Atoms | 25 |
| Complexity | 976.0744 |
Chemical Identifiers
| CAS Number | 676640-63-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)C)C |
Product Overview
2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 676640-63-4), with molecular formula C20H24N2OS2 and molecular weight 372.13 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.20164 indicates that 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 676640-63-4.
What is the molecular formula of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is C20H24N2OS2.
What is the molecular weight of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 372.13 g/mol.
Where can I buy 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-tert-butylbenzyl)sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.