6-octylthieno[3,2-b]thiophene-5-carbaldehyde

C15H20OS2 — CID 141420068

IUPAC6-octylthieno[3,2-b]thiophene-5-carbaldehyde
SMILESCCCCCCCCc1c(C=O)sc2ccsc12
InChIInChI=1S/C15H20OS2/c1-2-3-4-5-6-7-8-12-14(11-16)18-13-9-10-17-15(12)13/h9-11H,2-8H2,1H3
InChIKeyPSFTWWYMPNWKBH-UHFFFAOYSA-N
MW280.46 g/mol
LogP5.68
Rot. Bonds8

About 6-octylthieno[3,2-b]thiophene-5-carbaldehyde

6-octylthieno[3,2-b]thiophene-5-carbaldehyde (PubChem CID 141420068) has the molecular formula C15H20OS2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-octylthieno[3,2-b]thiophene-5-carbaldehyde.

Molecular Properties

Compound Name6-octylthieno[3,2-b]thiophene-5-carbaldehyde
PubChem CID141420068
Molecular FormulaC15H20OS2
Molecular Weight280.46 g/mol
Exact Mass280.10
IUPAC Name6-octylthieno[3,2-b]thiophene-5-carbaldehyde
SMILESCCCCCCCCc1c(C=O)sc2ccsc12
InChIInChI=1S/C15H20OS2/c1-2-3-4-5-6-7-8-12-14(11-16)18-13-9-10-17-15(12)13/h9-11H,2-8H2,1H3
InChIKeyPSFTWWYMPNWKBH-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-octylthieno[3,2-b]thiophene-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-hexylthieno[3,2-b]thiophene
CID 122397779
2,11-dioctyl-5,9,13,17-tetrathiapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,4(8),6,10,14(18),15-heptaene
CID 140749735
5-(2-ethylhexyl)-6-hexylthieno[3,2-b]thiophene
CID 122397780
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
5-decyl-4-dec-1-ynyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 70791686
2-[(E)-2-(4,5-dioctylthieno[3,2-e][1]benzothiol-2-yl)ethenyl]-4,5-dioctylthieno[3,2-e][1]benzothiole
CID 102257987
11-octyl-3,7,15,19-tetrathia-11-azapentacyclo[11.6.0.02,9.04,8.014,18]nonadeca-1(13),2(9),4(8),5,14(18),16-hexaene-10,12-dione
CID 130404464
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
10,11-didecoxy-3,7,14,18-tetrathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1,4(8),5,9,11,13(17),15-heptaene
CID 122213957
2-bromo-3-dodecylthiophene;N,N-dimethylformamide;3-dodecylthiophene-2-carbaldehyde;methane
CID 161175452
2,11-bis(4,5-didecylthiophen-2-yl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 132541760
4-heptoxy-8-octylthieno[2,3-f][1]benzothiole
CID 142722319

Frequently Asked Questions

What is the IUPAC name of 6-octylthieno[3,2-b]thiophene-5-carbaldehyde?
The IUPAC name of 6-octylthieno[3,2-b]thiophene-5-carbaldehyde (CID 141420068) is 6-octylthieno[3,2-b]thiophene-5-carbaldehyde.
What is the SMILES notation for 6-octylthieno[3,2-b]thiophene-5-carbaldehyde?
The canonical SMILES for 6-octylthieno[3,2-b]thiophene-5-carbaldehyde is CCCCCCCCc1c(C=O)sc2ccsc12.
What is the InChIKey of 6-octylthieno[3,2-b]thiophene-5-carbaldehyde?
The InChIKey is PSFTWWYMPNWKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS2/c1-2-3-4-5-6-7-8-12-14(11-16)18-13-9-10-17-15(12)13/h9-11H,2-8H2,1H3.
What are the key properties of 6-octylthieno[3,2-b]thiophene-5-carbaldehyde?
6-octylthieno[3,2-b]thiophene-5-carbaldehyde has a molecular weight of 280.46 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octylthieno[3,2-b]thiophene-5-carbaldehyde is sourced from PubChem (CID 141420068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).