2,3,4,5-tetrapropylthiophene

C16H28S — CID 14270410

IUPAC2,3,4,5-tetrapropylthiophene
SMILESCCCc1sc(CCC)c(CCC)c1CCC
InChIInChI=1S/C16H28S/c1-5-9-13-14(10-6-2)16(12-8-4)17-15(13)11-7-3/h5-12H2,1-4H3
InChIKeyRPTZEPYRLAJILD-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.56
Rot. Bonds8

About 2,3,4,5-tetrapropylthiophene

2,3,4,5-tetrapropylthiophene (PubChem CID 14270410) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 2,3,4,5-tetrapropylthiophene.

Molecular Properties

Compound Name2,3,4,5-tetrapropylthiophene
PubChem CID14270410
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2,3,4,5-tetrapropylthiophene
SMILESCCCc1sc(CCC)c(CCC)c1CCC
InChIInChI=1S/C16H28S/c1-5-9-13-14(10-6-2)16(12-8-4)17-15(13)11-7-3/h5-12H2,1-4H3
InChIKeyRPTZEPYRLAJILD-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrapropylthiophene?
The IUPAC name of 2,3,4,5-tetrapropylthiophene (CID 14270410) is 2,3,4,5-tetrapropylthiophene.
What is the SMILES notation for 2,3,4,5-tetrapropylthiophene?
The canonical SMILES for 2,3,4,5-tetrapropylthiophene is CCCc1sc(CCC)c(CCC)c1CCC.
What is the InChIKey of 2,3,4,5-tetrapropylthiophene?
The InChIKey is RPTZEPYRLAJILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-5-9-13-14(10-6-2)16(12-8-4)17-15(13)11-7-3/h5-12H2,1-4H3.
What are the key properties of 2,3,4,5-tetrapropylthiophene?
2,3,4,5-tetrapropylthiophene has a molecular weight of 252.47 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrapropylthiophene is sourced from PubChem (CID 14270410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).