![2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/1501/150113-54-5.webp)
2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 150113-54-5) is a chemical compound with molecular formula C13H16N2OS2 and molecular weight 280.0704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 01258252, 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, AR-434/11844614, 2-(propylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-propylthio-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
Technical Specifications
| Molecular Formula | C13H16N2OS2 |
| Molecular Weight | 280.0704 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0704 Da |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
| SMILES | CCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | RBLJIIIIVOCUTB-UHFFFAOYSA-N |
Chemical Property Profile of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 3.8 indicates that 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-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
What is the CAS number of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is 150113-54-5.
What is the molecular formula of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is C13H16N2OS2.
What is the molecular weight of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is 280.0704 g/mol.
Where can I buy 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.