5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene

C43H58S6 — CID 160895933

IUPAC5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene
SMILESCCCCCCCCCCc1cc2sc(C)cc2s1.CCCCCCCCc1ccc(-c2ccc(-c3ccc(C)s3)s2)s1.Cc1cccs1
InChIInChI=1S/C21H26S3.C17H26S2.C5H6S/c1-3-4-5-6-7-8-9-17-11-13-19(23-17)21-15-14-20(24-21)18-12-10-16(2)22-18;1-3-4-5-6-7-8-9-10-11-15-13-17-16(19-15)12-14(2)18-17;1-5-3-2-4-6-5/h10-15H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;2-4H,1H3
InChIKeySOWINDFZSVDXJD-UHFFFAOYSA-N
MW767.34 g/mol
LogP17.43
Rot. Bonds18

About 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene

5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene (PubChem CID 160895933) has the molecular formula C43H58S6 and a molecular weight of 767.34 g/mol. Its IUPAC name is 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene.

Molecular Properties

Compound Name5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene
PubChem CID160895933
Molecular FormulaC43H58S6
Molecular Weight767.34 g/mol
Exact Mass766.29
IUPAC Name5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene
SMILESCCCCCCCCCCc1cc2sc(C)cc2s1.CCCCCCCCc1ccc(-c2ccc(-c3ccc(C)s3)s2)s1.Cc1cccs1
InChIInChI=1S/C21H26S3.C17H26S2.C5H6S/c1-3-4-5-6-7-8-9-17-11-13-19(23-17)21-15-14-20(24-21)18-12-10-16(2)22-18;1-3-4-5-6-7-8-9-10-11-15-13-17-16(19-15)12-14(2)18-17;1-5-3-2-4-6-5/h10-15H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;2-4H,1H3
InChIKeySOWINDFZSVDXJD-UHFFFAOYSA-N
XLogP17.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.34
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2,8-bis[5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole;2-(2-decylthieno[3,2-b]thiophen-5-yl)-8-(2-methylthieno[3,2-b]thiophen-5-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 162081043
bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
CID 102519870
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
4,10-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 86020599
2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
CID 71418336
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene?
The IUPAC name of 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene (CID 160895933) is 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene.
What is the SMILES notation for 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene?
The canonical SMILES for 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene is CCCCCCCCCCc1cc2sc(C)cc2s1.CCCCCCCCc1ccc(-c2ccc(-c3ccc(C)s3)s2)s1.Cc1cccs1.
What is the InChIKey of 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene?
The InChIKey is SOWINDFZSVDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26S3.C17H26S2.C5H6S/c1-3-4-5-6-7-8-9-17-11-13-19(23-17)21-15-14-20(24-21)18-12-10-16(2)22-18;1-3-4-5-6-7-8-9-10-11-15-13-17-16(19-15)12-14(2)18-17;1-5-3-2-4-6-5/h10-15H,3-9H2,1-2H3;12-13H,3-11H2,1-2H3;2-4H,1H3.
What are the key properties of 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene?
5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene has a molecular weight of 767.34 g/mol, XLogP of 17.43, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-methylthieno[3,2-b]thiophene;2-methyl-5-[5-(5-octylthiophen-2-yl)thiophen-2-yl]thiophene;2-methylthiophene is sourced from PubChem (CID 160895933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).