5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one structure

5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

TL;DR: 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one (CAS 330835-50-2) is a chemical compound with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

Also Known As: 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 5,6-DIMETHYL-2-[(2-METHYLPROP-2-EN-1-YL)SULFANYL]-3-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-ONE

CAS: 330835-50-2
Molecular Formula C18H18N2OS2
Molecular Weight 342.09 g/mol
LogP 5.4
Topological Polar Surface Area 86.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 342.08606
Heavy Atoms 23
Complexity 513.0

Chemical Identifiers

CAS Number 330835-50-2
SMILES CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=C)C)C3=CC=CC=C3)C
InChIKey ZJWMEFOXGYNCTN-UHFFFAOYSA-N

Product Overview

5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one (CAS 330835-50-2), with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol. IUPAC: 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

XLogP
5.4
TPSA (Topological Polar Surface Area)
86.2
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
23
Complexity
513.0
Exact Mass
342.08606
Monoisotopic Mass
342.08606
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one

The XLogP value of 5.4 indicates that 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?

The CAS number of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is 330835-50-2.

What is the molecular formula of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?

The molecular formula of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is C18H18N2OS2.

What is the molecular weight of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?

The molecular weight of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one is 342.09 g/mol.

Where can I buy 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?

You can request a quote for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one?

Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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