bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C101H77N11O2S5 — CID 157184295

About bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157184295) has the molecular formula C101H77N11O2S5 and a molecular weight of 1637.14 g/mol. Its IUPAC name is bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157184295
• Molecular Formula: C101H77N11O2S5
• Molecular Weight: 1637.14 g/mol
• Exact Mass: 1635.49
• IUPAC Name: bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: Cc1ccc(-c2nc(C)c3sc4ccccc4c3n2)cc1.Cc1ccc2c(c1)oc1cccnc12.Cc1ccnc2c1oc1ccc(-c3ccccc3)cc12.Cc1ccnc2c1sc1ccccc12.Cc1nc(-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(C)c2sc3ccccc3c2n1.Cc1nc(C)c2sc3ccccc3c2n1
• InChI: InChI=1S/C18H14N2S.C18H13NO.C17H12N2S.2C12H10N2S.C12H9NO.C12H9NS/c1-11-7-9-13(10-8-11)18-19-12(2)17-16(20-18)14-5-3-4-6-15(14)21-17;1-12-9-10-19-17-15-11-14(13-5-3-2-4-6-13)7-8-16(15)20-18(12)17;1-11-16-15(13-9-5-6-10-14(13)20-16)19-17(18-11)12-7-3-2-4-8-12;2*1-7-12-11(14-8(2)13-7)9-5-3-4-6-10(9)15-12;1-8-4-5-9-11(7-8)14-10-3-2-6-13-12(9)10;1-8-6-7-13-11-9-4-2-3-5-10(9)14-12(8)11/h3-10H,1-2H3;2-11H,1H3;2-10H,1H3;2*3-6H,1-2H3;2*2-7H,1H3
• InChIKey: AOXZMAHHNYHXEA-UHFFFAOYSA-N
• XLogP: 28.87
• TPSA: 168.07 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 3
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.14
LogP ≤ 5	28.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 157184295) is bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is Cc1ccc(-c2nc(C)c3sc4ccccc4c3n2)cc1.Cc1ccc2c(c1)oc1cccnc12.Cc1ccnc2c1oc1ccc(-c3ccccc3)cc12.Cc1ccnc2c1sc1ccccc12.Cc1nc(-c2ccccc2)nc2c1sc1ccccc12.Cc1nc(C)c2sc3ccccc3c2n1.Cc1nc(C)c2sc3ccccc3c2n1.

What is the InChIKey of bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is AOXZMAHHNYHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S.C18H13NO.C17H12N2S.2C12H10N2S.C12H9NO.C12H9NS/c1-11-7-9-13(10-8-11)18-19-12(2)17-16(20-18)14-5-3-4-6-15(14)21-17;1-12-9-10-19-17-15-11-14(13-5-3-2-4-6-13)7-8-16(15)20-18(12)17;1-11-16-15(13-9-5-6-10-14(13)20-16)19-17(18-11)12-7-3-2-4-8-12;2*1-7-12-11(14-8(2)13-7)9-5-3-4-6-10(9)15-12;1-8-4-5-9-11(7-8)14-10-3-2-6-13-12(9)10;1-8-6-7-13-11-9-4-2-3-5-10(9)14-12(8)11/h3-10H,1-2H3;2-11H,1H3;2-10H,1H3;2*3-6H,1-2H3;2*2-7H,1H3.

What are the key properties of bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?

bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1637.14 g/mol, XLogP of 28.87, 3 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethyl-[1]benzothiolo[3,2-d]pyrimidine);7-methyl-[1]benzofuro[3,2-b]pyridine;4-methyl-[1]benzothiolo[3,2-b]pyridine;4-methyl-2-(4-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-methyl-8-phenyl-[1]benzofuro[3,2-b]pyridine;4-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157184295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).