2,3,4,5-tetrabutylthiophene

C20H36S — CID 23325202

IUPAC2,3,4,5-tetrabutylthiophene
SMILESCCCCc1sc(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C20H36S/c1-5-9-13-17-18(14-10-6-2)20(16-12-8-4)21-19(17)15-11-7-3/h5-16H2,1-4H3
InChIKeyBAWOOFIRQHQRTC-UHFFFAOYSA-N
MW308.57 g/mol
LogP7.12
Rot. Bonds12

About 2,3,4,5-tetrabutylthiophene

2,3,4,5-tetrabutylthiophene (PubChem CID 23325202) has the molecular formula C20H36S and a molecular weight of 308.57 g/mol. Its IUPAC name is 2,3,4,5-tetrabutylthiophene.

Molecular Properties

Compound Name2,3,4,5-tetrabutylthiophene
PubChem CID23325202
Molecular FormulaC20H36S
Molecular Weight308.57 g/mol
Exact Mass308.25
IUPAC Name2,3,4,5-tetrabutylthiophene
SMILESCCCCc1sc(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C20H36S/c1-5-9-13-17-18(14-10-6-2)20(16-12-8-4)21-19(17)15-11-7-3/h5-16H2,1-4H3
InChIKeyBAWOOFIRQHQRTC-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.57
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5-tetrabutylthiophene 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

2,3,4,5-Tetramethylthiophene
CID 139769
Octahydrodibenzothiophene
CID 265416
4-Methyl-2-(3,7,11-Trimethyldodecyl) thiophene
CID 85528944
5-Butyl-2,3-dimethylthiophene
CID 528235
2-Butyl-3,5-dimethylthiophene
CID 528243
Thiophene, 3,4-dibutyl-2-ethynyl-
CID 11138657
2,3,4,5-Tetrapropylthiophene
CID 14270410
2,3,4,5-Tetraethylthiophene
CID 15260863
2,3-Dimethyl-5-(2,6,10-trimethylundecyl)thiophene
CID 580622
10-Thiatricyclo[9.6.0.02,9]heptadeca-1(11),2(9)-diene
CID 10753103
13-Methyl-12-thiabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
CID 134983427
1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene
CID 10057889

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabutylthiophene?
The IUPAC name of 2,3,4,5-tetrabutylthiophene (CID 23325202) is 2,3,4,5-tetrabutylthiophene.
What is the SMILES notation for 2,3,4,5-tetrabutylthiophene?
The canonical SMILES for 2,3,4,5-tetrabutylthiophene is CCCCc1sc(CCCC)c(CCCC)c1CCCC.
What is the InChIKey of 2,3,4,5-tetrabutylthiophene?
The InChIKey is BAWOOFIRQHQRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36S/c1-5-9-13-17-18(14-10-6-2)20(16-12-8-4)21-19(17)15-11-7-3/h5-16H2,1-4H3.
What are the key properties of 2,3,4,5-tetrabutylthiophene?
2,3,4,5-tetrabutylthiophene has a molecular weight of 308.57 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabutylthiophene is sourced from PubChem (CID 23325202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).