![2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/496/496775-42-9.png)
2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 496775-42-9) is a chemical compound with molecular formula C18H18N2OS3 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(3-methylphenyl)-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-3-(3-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H18N2OS3 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 4.98611 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.05814 |
| Heavy Atoms | 24 |
| Complexity | 1072.0378 |
Chemical Identifiers
| CAS Number | 496775-42-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)SC4=C3CC(SC4)(C)C |
Product Overview
2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 496775-42-9), with molecular formula C18H18N2OS3 and molecular weight 374.06 g/mol. IUPAC: 12,12-dimethyl-4-(3-methylphenyl)-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 4.98611 indicates that 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 1 hydrogen bond donor(s) and 4 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 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 496775-42-9.
What is the molecular formula of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C18H18N2OS3.
What is the molecular weight of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 374.06 g/mol.
Where can I buy 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-mercapto-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.