2-butyl-3,5-dimethylthiophene

C10H16S — CID 528243

IUPAC2-butyl-3,5-dimethylthiophene
SMILESCCCCc1sc(C)cc1C
InChIInChI=1S/C10H16S/c1-4-5-6-10-8(2)7-9(3)11-10/h7H,4-6H2,1-3H3
InChIKeyMRLGYUYIBGNGBZ-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.71
Rot. Bonds3

About 2-butyl-3,5-dimethylthiophene

2-butyl-3,5-dimethylthiophene (PubChem CID 528243) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2-butyl-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-butyl-3,5-dimethylthiophene
PubChem CID528243
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2-butyl-3,5-dimethylthiophene
SMILESCCCCc1sc(C)cc1C
InChIInChI=1S/C10H16S/c1-4-5-6-10-8(2)7-9(3)11-10/h7H,4-6H2,1-3H3
InChIKeyMRLGYUYIBGNGBZ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,5-dimethylthiophene?
The IUPAC name of 2-butyl-3,5-dimethylthiophene (CID 528243) is 2-butyl-3,5-dimethylthiophene.
What is the SMILES notation for 2-butyl-3,5-dimethylthiophene?
The canonical SMILES for 2-butyl-3,5-dimethylthiophene is CCCCc1sc(C)cc1C.
What is the InChIKey of 2-butyl-3,5-dimethylthiophene?
The InChIKey is MRLGYUYIBGNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-4-5-6-10-8(2)7-9(3)11-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-butyl-3,5-dimethylthiophene?
2-butyl-3,5-dimethylthiophene has a molecular weight of 168.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,5-dimethylthiophene is sourced from PubChem (CID 528243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).