Cambridge id 5683600
11-methyl-3,5-bis(methylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: ChemDiv2_004119|Oprea1_485081|IDI1_002834|NCGC00240962-01|AB00093402-01|7-methyl-2,4-bis(methylsulfanyl)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidine|7-methyl-2,4-bis(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine|7-methyl-2,4-bis(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine|7-methyl-2,4-dimethylthio-5,6,7,8-tetrahydropyrimidino[5',4'-5,4]thiopheno[2,3 -c]pyridine
| Molecular Formula | C12H15N3S3 |
|---|---|
| Molecular Weight | 297.04282 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.04282 |
| Monoisotopic Mass | 297.04282 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 330179-15-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SC |
| InChIKey | QTKQXOBTDSOHBK-UHFFFAOYSA-N |
Product Overview
Cambridge id 5683600 (CAS 330179-15-2), with molecular formula C12H15N3S3 and molecular weight 297.04282 g/mol. IUPAC: 11-methyl-3,5-bis(methylsulfanyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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