![3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/489/489415-99-8.png)
3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 489415-99-8) is a chemical compound with molecular formula C14H16N2OS3 and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-prop-2-enyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-3-(prop-2-en-1-yl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C14H16N2OS3 |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 3.87449 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.04248 |
| Heavy Atoms | 20 |
| Complexity | 810.15894 |
Chemical Identifiers
| CAS Number | 489415-99-8 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C(=S)N3)CC=C)C |
Product Overview
3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 489415-99-8), with molecular formula C14H16N2OS3 and molecular weight 324.04 g/mol. IUPAC: 12,12-dimethyl-4-prop-2-enyl-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 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 3.87449 indicates that 3-allyl-2-mercapto-6,6-dimethyl-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, 3-allyl-2-mercapto-6,6-dimethyl-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, 3-allyl-2-mercapto-6,6-dimethyl-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 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 489415-99-8.
What is the molecular formula of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C14H16N2OS3.
What is the molecular weight of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 324.04 g/mol.
Where can I buy 3-allyl-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 3-allyl-2-mercapto-6,6-dimethyl-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 3-allyl-2-mercapto-6,6-dimethyl-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 3-allyl-2-mercapto-6,6-dimethyl-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.