NCI60_040312
TL;DR: NCI60_040312 (CAS 132605-21-1) 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.
3,6-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: NCI60_040312, 3,6-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-3,6-dimethyl-2-thioxo-, 1,2,5,6,7,8-Hexahydro-3,6-dimethyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3,6-Dimethyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C12H14N2OS2 |
| Molecular Weight | 266.05475 g/mol |
| XLogP | 2.7 |
| 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)C3=C(S2)NC(=S)N(C3=O)C |
| InChIKey | LKHXBFOQKPAJRO-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_040312
Property Insights of NCI60_040312
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_040312. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_040312. Following Lipinski's Rule of Five, NCI60_040312 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 NCI60_040312?
The CAS number of NCI60_040312 is 132605-21-1.
What is the molecular formula of NCI60_040312?
The molecular formula of NCI60_040312 is C12H14N2OS2.
What is the molecular weight of NCI60_040312?
The molecular weight of NCI60_040312 is 266.05475 g/mol.
Where can I buy NCI60_040312?
You can request a quote for NCI60_040312 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_040312?
Yes, CoreyChem provides custom synthesis services for NCI60_040312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.