2-butyl-2,3-dihydrothiophene

C8H14S — CID 57171816

IUPAC2-butyl-2,3-dihydrothiophene
SMILESCCCCC1CC=CS1
InChIInChI=1S/C8H14S/c1-2-3-5-8-6-4-7-9-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyHSCPEUDRZREPFF-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.20
Rot. Bonds3

About 2-butyl-2,3-dihydrothiophene

2-butyl-2,3-dihydrothiophene (PubChem CID 57171816) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-butyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-butyl-2,3-dihydrothiophene
PubChem CID57171816
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-butyl-2,3-dihydrothiophene
SMILESCCCCC1CC=CS1
InChIInChI=1S/C8H14S/c1-2-3-5-8-6-4-7-9-8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyHSCPEUDRZREPFF-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-nonyl-2,3-dihydrothiophene
CID 90878988
5-(2,3-dihydrothiophen-2-yl)pentan-2-one
CID 70328768
2-(3-methylbutyl)-2,3-dihydrothiophene
CID 174535816
2-butylthietane
CID 102085907
4-hexylcyclopentene
CID 10487053
3-decylcyclobutene
CID 174421846
(6R)-6-butylpentathiepane
CID 7244669
5-butylthiolan-3-amine
CID 144998009
2-nonylthietane
CID 21487379
3,12-dioctyl-1,2-diazacyclododeca-1,5,9-triene
CID 56632915
3,12-di(undecyl)-1,2-diazacyclododeca-1,5,9-triene
CID 57073636
4-tetradecylcyclohexene
CID 54499913

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,3-dihydrothiophene?
The IUPAC name of 2-butyl-2,3-dihydrothiophene (CID 57171816) is 2-butyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-butyl-2,3-dihydrothiophene?
The canonical SMILES for 2-butyl-2,3-dihydrothiophene is CCCCC1CC=CS1.
What is the InChIKey of 2-butyl-2,3-dihydrothiophene?
The InChIKey is HSCPEUDRZREPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-3-5-8-6-4-7-9-8/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-butyl-2,3-dihydrothiophene?
2-butyl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3-dihydrothiophene is sourced from PubChem (CID 57171816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).