![2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5870/587010-89-7.webp)
2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 587010-89-7) is a chemical compound with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((2,5-dimethylbenzyl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(2,5-dimethylphenyl)methylthio]-3-methyl-3,5,6,7,8-pentahydrobenzo[b]thioph eno[2,3-d]pyrimidin-4-one, 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C20H22N2OS2 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 4.78294 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.11737 |
| Heavy Atoms | 25 |
| Complexity | 1016.68854 |
Chemical Identifiers
| CAS Number | 587010-89-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C |
Product Overview
2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 587010-89-7), with molecular formula C20H22N2OS2 and molecular weight 370.12 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.78294 indicates that 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[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-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one has 0 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-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 587010-89-7.
What is the molecular formula of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C20H22N2OS2.
What is the molecular weight of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 370.12 g/mol.
Where can I buy 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[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-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-dimethylbenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.