5-butan-2-yl-2,3-dihydrothiophene

C8H14S — CID 15191429

IUPAC5-butan-2-yl-2,3-dihydrothiophene
SMILESCCC(C)C1=CCCS1
InChIInChI=1S/C8H14S/c1-3-7(2)8-5-4-6-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeySGEJGDRMAGYFRZ-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds2

About 5-butan-2-yl-2,3-dihydrothiophene

5-butan-2-yl-2,3-dihydrothiophene (PubChem CID 15191429) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dihydrothiophene
PubChem CID15191429
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-butan-2-yl-2,3-dihydrothiophene
SMILESCCC(C)C1=CCCS1
InChIInChI=1S/C8H14S/c1-3-7(2)8-5-4-6-9-8/h5,7H,3-4,6H2,1-2H3
InChIKeySGEJGDRMAGYFRZ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
5-Butyl-2,3-dihydrothiophene
CID 11062496
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
5-Tert-butyl-2,3-dihydrothiophene
CID 15191430
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
5-t-Butyl-3-methyl-2h-thiophene
CID 89303768
1-Butylsulfanylcyclopentene
CID 134985704
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
2-Fluoro-5-propan-2-yl-2,3-dihydrothiophene
CID 126565366
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
3-Ethyl-5-fluoro-2,3,6,7-tetrahydrothiepine
CID 163607684

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-butan-2-yl-2,3-dihydrothiophene (CID 15191429) is 5-butan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-butan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-butan-2-yl-2,3-dihydrothiophene is CCC(C)C1=CCCS1.
What is the InChIKey of 5-butan-2-yl-2,3-dihydrothiophene?
The InChIKey is SGEJGDRMAGYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-7(2)8-5-4-6-9-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-butan-2-yl-2,3-dihydrothiophene?
5-butan-2-yl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 15191429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).