5-tert-butyl-2,3-dihydrothiophene

C8H14S — CID 15191430

IUPAC5-tert-butyl-2,3-dihydrothiophene
SMILESCC(C)(C)C1=CCCS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h5H,4,6H2,1-3H3
InChIKeyRZRAGWAYDKJXLD-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds

About 5-tert-butyl-2,3-dihydrothiophene

5-tert-butyl-2,3-dihydrothiophene (PubChem CID 15191430) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydrothiophene
PubChem CID15191430
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-tert-butyl-2,3-dihydrothiophene
SMILESCC(C)(C)C1=CCCS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h5H,4,6H2,1-3H3
InChIKeyRZRAGWAYDKJXLD-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 5-tert-butyl-2,3-dihydrothiophene?
The IUPAC name of 5-tert-butyl-2,3-dihydrothiophene (CID 15191430) is 5-tert-butyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-tert-butyl-2,3-dihydrothiophene?
The canonical SMILES for 5-tert-butyl-2,3-dihydrothiophene is CC(C)(C)C1=CCCS1.
What is the InChIKey of 5-tert-butyl-2,3-dihydrothiophene?
The InChIKey is RZRAGWAYDKJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h5H,4,6H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3-dihydrothiophene?
5-tert-butyl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydrothiophene is sourced from PubChem (CID 15191430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).