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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)

C219H325N11O9S13 — CID 158756566

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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) (PubChem CID 158756566) has the molecular formula C219H325N11O9S13 and a molecular weight of 3672.95 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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
• PubChem CID: 158756566
• Molecular Formula: C219H325N11O9S13
• Molecular Weight: 3672.95 g/mol
• Exact Mass: 3669.17
• 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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
• SMILES: C.CC.CC.CC.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)c2ncccc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nsnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)c2scnc12.Cc1ccc2cc(C)sc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.Cc1oc2c(C)c(C)sc2c1C.Cc1oc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C.Cc1sc2c(C)c(C)sc2c1C
• InChI: InChI=1S/2C11H11N.C10H12O2.2C10H12OS.2C10H12S2.2C10H10S.3C9H9NO.4C9H9NS.C9H10O2.C8H8N2S.23C2H6.CH4/c2*1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-7-3-4-8(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;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;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;23*1-2;/h2*3-7H,1-2H3;3-4H,5-6H2,1-2H3;4*1-4H3;2*3-6H,1-2H3;7*3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;23*1-2H3;1H4
• InChIKey: IODMZHDHXAJEKF-UHFFFAOYSA-N
• XLogP: 78.23
• TPSA: 244.41 Ų
• H-Bond Acceptors: 33
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3672.95
LogP ≤ 5	78.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) (CID 158756566) 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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene) is C.CC.CC.CC.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)c2ncccc12.Cc1ccc(C)c2ncccc12.Cc1ccc(C)c2nsnc12.Cc1ccc(C)c2ocnc12.Cc1ccc(C)c2scnc12.Cc1ccc(C)c2scnc12.Cc1ccc2cc(C)sc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1ccc2sc(C)nc2c1.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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)?

The InChIKey is IODMZHDHXAJEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N.C10H12O2.2C10H12OS.2C10H12S2.2C10H10S.3C9H9NO.4C9H9NS.C9H10O2.C8H8N2S.23C2H6.CH4/c2*1-8-5-6-9(2)11-10(8)4-3-7-12-11;1-7-3-4-8(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;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;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;23*1-2;/h2*3-7H,1-2H3;3-4H,5-6H2,1-2H3;4*1-4H3;2*3-6H,1-2H3;7*3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;23*1-2H3;1H4.

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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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 3672.95 g/mol, XLogP of 78.23, 0 rotatable bonds, 0 hydrogen bond donors, and 33 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);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;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 158756566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).