3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
TL;DR: 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one (CAS 132627-72-6) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one, (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3,7-dimethyl-2-thioxo-, 3,7-dimethyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-mercapto-3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Technical Specifications
| Molecular Formula | C12H14N2OS2 |
| Molecular Weight | 266.05475 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.05475 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C |
| InChIKey | BFMZVAGSDKNEJI-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
Property Insights of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The CAS number of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is 132627-72-6.
What is the molecular formula of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The molecular formula of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is C12H14N2OS2.
What is the molecular weight of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
The molecular weight of 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one is 266.05475 g/mol.
Where can I buy 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
You can request a quote for 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.