![2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5855/585562-75-0.webp)
2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 585562-75-0) is a chemical compound with molecular formula C18H16Cl2N2OS2 and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((3,4-dichlorobenzyl)thio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(3,4-dichlorophenyl)methylthio]-3-methyl-3,5,6,7,8-pentahydrobenzo[b]thioph eno[2,3-d]pyrimidin-4-one, 5-{[(3,4-dichlorophenyl)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 | C18H16Cl2N2OS2 |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 5.4729 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.00812 |
| Heavy Atoms | 25 |
| Complexity | 1026.0685 |
Chemical Identifiers
| CAS Number | 585562-75-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4 |
Product Overview
2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 585562-75-0), with molecular formula C18H16Cl2N2OS2 and molecular weight 410.01 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.4729 indicates that 2-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 585562-75-0.
What is the molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C18H16Cl2N2OS2.
What is the molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 410.01 g/mol.
Where can I buy 2-[(3,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)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-[(3,4-dichlorobenzyl)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.