2-butyl-5-ethylthiophene

C10H16S — CID 521504

IUPAC2-butyl-5-ethylthiophene
SMILESCCCCc1ccc(CC)s1
InChIInChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3
InChIKeyORAPMLHUSQJCQH-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.65
Rot. Bonds4

About 2-butyl-5-ethylthiophene

2-butyl-5-ethylthiophene (PubChem CID 521504) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-butyl-5-ethylthiophene.

Molecular Properties

Compound Name2-butyl-5-ethylthiophene
PubChem CID521504
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-butyl-5-ethylthiophene
SMILESCCCCc1ccc(CC)s1
InChIInChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3
InChIKeyORAPMLHUSQJCQH-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Pentylthiophene
CID 20995
2-Methylthiophene
CID 11126
2-Ethylthiophene
CID 13388
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Ethyl-5-methylthiophene
CID 520990
2-Octylthiophene
CID 70153
2-Propylthiophene
CID 73771
2-Vinylthiophene
CID 519642
1-(2-Thienyl)ethanethiol
CID 2724626
3,6,9,14-Tetrathiabicyclo(9.2.1)tetradeca-1(13),11-diene
CID 373749

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethylthiophene?
The IUPAC name of 2-butyl-5-ethylthiophene (CID 521504) is 2-butyl-5-ethylthiophene.
What is the SMILES notation for 2-butyl-5-ethylthiophene?
The canonical SMILES for 2-butyl-5-ethylthiophene is CCCCc1ccc(CC)s1.
What is the InChIKey of 2-butyl-5-ethylthiophene?
The InChIKey is ORAPMLHUSQJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-5-ethylthiophene?
2-butyl-5-ethylthiophene has a molecular weight of 168.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethylthiophene is sourced from PubChem (CID 521504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).