TL;DR: 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one (CAS 132605-19-7) is a chemical compound with molecular formula C10H10N2OS2 and molecular weight 238.02345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: 2-mercapto-3-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, BAS 02376408, 2-Mercapto-3-methyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-3-methyl-2-thioxo-, 1,2,3,5,6,7-Hexahydro-3-methyl-2-thioxo-4H-cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one
| Molecular Formula | C10H10N2OS2 |
| Molecular Weight | 238.02345 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.02345 Da |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
| SMILES | CN1C(=O)C2=C(NC1=S)SC3=C2CCC3 |
| InChIKey | VUNKMNQMFCSUJN-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one. Following Lipinski's Rule of Five, 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one is 132605-19-7.
The molecular formula of 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one is C10H10N2OS2.
The molecular weight of 11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one is 238.02345 g/mol.
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