2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C79H88N10O6S10 — CID 162218740

About 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 162218740) has the molecular formula C79H88N10O6S10 and a molecular weight of 1594.31 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
• PubChem CID: 162218740
• Molecular Formula: C79H88N10O6S10
• Molecular Weight: 1594.31 g/mol
• Exact Mass: 1592.41
• IUPAC Name: 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
• SMILES: CCC(C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccccc1OC)SCC2
• InChI: InChI=1S/C16H18N2O2S2.3C16H18N2OS2.C15H16N2OS2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2;1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12;1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12;1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12;1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h4-7H,3,8-10H2,1-2H3;4-7H,3,8-10H2,1-2H3;4-8,11H,3,9-10H2,1-2H3;4-8H,2-3,9-11H2,1H3;3-7H,2,8-10H2,1H3
• InChIKey: ZTVIGHYPIFBUBE-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 183.68 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.31
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 162218740) is 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCC(C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2.CCCSc1nc2c(c(=O)n1-c1ccccc1OC)SCC2.

What is the InChIKey of 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?

The InChIKey is ZTVIGHYPIFBUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2.3C16H18N2OS2.C15H16N2OS2/c1-3-9-22-16-17-11-8-10-21-14(11)15(19)18(16)12-6-4-5-7-13(12)20-2;1-3-9-21-16-17-13-8-10-20-14(13)15(19)18(16)12-6-4-11(2)5-7-12;1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12;1-2-3-10-21-16-17-13-9-11-20-14(13)15(19)18(16)12-7-5-4-6-8-12;1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h4-7H,3,8-10H2,1-2H3;4-7H,3,8-10H2,1-2H3;4-8,11H,3,9-10H2,1-2H3;4-8H,2-3,9-11H2,1H3;3-7H,2,8-10H2,1H3.

What are the key properties of 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?

2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 1594.31 g/mol, XLogP of 18.01, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-(4-methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one;3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 162218740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).