3-butyl-2,3-dihydrothiophene

C8H14S — CID 57240423

IUPAC3-butyl-2,3-dihydrothiophene
SMILESCCCCC1C=CSC1
InChIInChI=1S/C8H14S/c1-2-3-4-8-5-6-9-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyXBTBNVMBQXWUGQ-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds3

About 3-butyl-2,3-dihydrothiophene

3-butyl-2,3-dihydrothiophene (PubChem CID 57240423) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-butyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-butyl-2,3-dihydrothiophene
PubChem CID57240423
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-butyl-2,3-dihydrothiophene
SMILESCCCCC1C=CSC1
InChIInChI=1S/C8H14S/c1-2-3-4-8-5-6-9-7-8/h5-6,8H,2-4,7H2,1H3
InChIKeyXBTBNVMBQXWUGQ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,3-dihydrothiophene?
The IUPAC name of 3-butyl-2,3-dihydrothiophene (CID 57240423) is 3-butyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-butyl-2,3-dihydrothiophene?
The canonical SMILES for 3-butyl-2,3-dihydrothiophene is CCCCC1C=CSC1.
What is the InChIKey of 3-butyl-2,3-dihydrothiophene?
The InChIKey is XBTBNVMBQXWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-3-4-8-5-6-9-7-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-butyl-2,3-dihydrothiophene?
3-butyl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,3-dihydrothiophene is sourced from PubChem (CID 57240423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).