5-ethynyl-2-pentylthieno[3,2-b]thiophene

C13H14S2 — CID 141472920

IUPAC5-ethynyl-2-pentylthieno[3,2-b]thiophene
SMILESC#Cc1cc2sc(CCCCC)cc2s1
InChIInChI=1S/C13H14S2/c1-3-5-6-7-11-9-13-12(15-11)8-10(4-2)14-13/h2,8-9H,3,5-7H2,1H3
InChIKeyZQQBLIGEPGPANT-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.68
Rot. Bonds4

About 5-ethynyl-2-pentylthieno[3,2-b]thiophene

5-ethynyl-2-pentylthieno[3,2-b]thiophene (PubChem CID 141472920) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 5-ethynyl-2-pentylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-ethynyl-2-pentylthieno[3,2-b]thiophene
PubChem CID141472920
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Name5-ethynyl-2-pentylthieno[3,2-b]thiophene
SMILESC#Cc1cc2sc(CCCCC)cc2s1
InChIInChI=1S/C13H14S2/c1-3-5-6-7-11-9-13-12(15-11)8-10(4-2)14-13/h2,8-9H,3,5-7H2,1H3
InChIKeyZQQBLIGEPGPANT-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
2-butyl-5-ethynylthiophene
CID 19422276
5-pentyl-2-(2-pentylthieno[3,2-b]thiophen-5-yl)pyrimidine
CID 70491130
5-ethenyl-2-hexylthieno[3,2-b]thiophene
CID 141281764
5-ethynyl-2-[5-[3-[5-(5-ethynyl-3-octylthiophen-2-yl)thiophen-2-yl]propyl]thiophen-2-yl]-3-octylthiophene
CID 86058411
4,11-dioctyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 130376551
2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene
CID 173421142
2,5-diheptylthiophene
CID 607114
4,10-dibutyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 132606259
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
dimethyl 2,5-bis(2-dodecylthieno[3,2-b]thiophen-5-yl)benzene-1,4-dicarboxylate
CID 70565692
3-bromo-5-octylthieno[3,2-b]thiophene
CID 135070013

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-pentylthieno[3,2-b]thiophene?
The IUPAC name of 5-ethynyl-2-pentylthieno[3,2-b]thiophene (CID 141472920) is 5-ethynyl-2-pentylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-ethynyl-2-pentylthieno[3,2-b]thiophene?
The canonical SMILES for 5-ethynyl-2-pentylthieno[3,2-b]thiophene is C#Cc1cc2sc(CCCCC)cc2s1.
What is the InChIKey of 5-ethynyl-2-pentylthieno[3,2-b]thiophene?
The InChIKey is ZQQBLIGEPGPANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S2/c1-3-5-6-7-11-9-13-12(15-11)8-10(4-2)14-13/h2,8-9H,3,5-7H2,1H3.
What are the key properties of 5-ethynyl-2-pentylthieno[3,2-b]thiophene?
5-ethynyl-2-pentylthieno[3,2-b]thiophene has a molecular weight of 234.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-pentylthieno[3,2-b]thiophene is sourced from PubChem (CID 141472920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).