4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)

C197H294N16O10S11 — CID 158452400

About 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)

4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) (PubChem CID 158452400) has the molecular formula C197H294N16O10S11 and a molecular weight of 3399.36 g/mol. Its IUPAC name is 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene).

Molecular Properties

• Compound Name: 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
• PubChem CID: 158452400
• Molecular Formula: C197H294N16O10S11
• Molecular Weight: 3399.36 g/mol
• Exact Mass: 3395.99
• IUPAC Name: 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)c2c1OCCO2.Cc1ccc(C)c2c1OCO2.Cc1ccc(C)c2nsnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)nn1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1oc2c(C)c(C)sc2c1C.Cc1oc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C
• InChI: InChI=1S/C10H12O2.2C10H12OS.2C10H12S2.4C9H9NO.4C9H9NS.C9H10O2.C8H8N2S.3C6H8N2.20C2H6/c1-7-3-4-8(2)10-9(7)11-5-6-12-10;2*1-5-7(3)11-9-6(2)8(4)12-10(5)9;2*1-5-7(3)11-10-6(2)8(4)12-9(5)10;2*1-6-3-4-7(2)9-8(6)10-5-11-9;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-6-3-4-7(2)9-8(6)10-5-11-9;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-7(2)9-8(6)10-5-11-9;1-5-3-4-6(2)8-7(5)9-11-10-8;2*1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;20*1-2/h3-4H,5-6H2,1-2H3;4*1-4H3;8*3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;3*3-4H,1-2H3;20*1-2H3
• InChIKey: HEDUFFSYXSKROW-UHFFFAOYSA-N
• XLogP: 67.50
• TPSA: 322.00 Ų
• H-Bond Acceptors: 37
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3399.36
LogP ≤ 5	67.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)?

The IUPAC name of 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) (CID 158452400) is 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene).

What is the SMILES notation for 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)?

The canonical SMILES for 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C)c2c1OCCO2.Cc1ccc(C)c2c1OCO2.Cc1ccc(C)c2nsnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)nn1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1cnc(C)cn1.Cc1cnc(C)cn1.Cc1oc2c(C)c(C)sc2c1C.Cc1oc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C.

What is the InChIKey of 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)?

The InChIKey is HEDUFFSYXSKROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.2C10H12OS.2C10H12S2.4C9H9NO.4C9H9NS.C9H10O2.C8H8N2S.3C6H8N2.20C2H6/c1-7-3-4-8(2)10-9(7)11-5-6-12-10;2*1-5-7(3)11-9-6(2)8(4)12-10(5)9;2*1-5-7(3)11-10-6(2)8(4)12-9(5)10;2*1-6-3-4-7(2)9-8(6)10-5-11-9;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-6-3-4-7(2)9-8(6)10-5-11-9;2*1-6-3-4-9-8(5-6)10-7(2)11-9;1-6-3-4-7(2)9-8(6)10-5-11-9;1-5-3-4-6(2)8-7(5)9-11-10-8;2*1-5-3-8-6(2)4-7-5;1-5-3-4-6(2)8-7-5;20*1-2/h3-4H,5-6H2,1-2H3;4*1-4H3;8*3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;3*3-4H,1-2H3;20*1-2H3.

What are the key properties of 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)?

4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) has a molecular weight of 3399.36 g/mol, XLogP of 67.50, 0 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);bis(4,7-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) is sourced from PubChem (CID 158452400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).