(2S)-2-tert-butyl-2,5-dihydrothiophene

C8H14S — CID 71423925

IUPAC(2S)-2-tert-butyl-2,5-dihydrothiophene
SMILESCC(C)(C)[C@@H]1C=CCS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyYDLBKYSREPRKSB-ZETCQYMHSA-N
MW142.27 g/mol
LogP2.70
Rot. Bonds

About (2S)-2-tert-butyl-2,5-dihydrothiophene

(2S)-2-tert-butyl-2,5-dihydrothiophene (PubChem CID 71423925) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2,5-dihydrothiophene
PubChem CID71423925
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(2S)-2-tert-butyl-2,5-dihydrothiophene
SMILESCC(C)(C)[C@@H]1C=CCS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyYDLBKYSREPRKSB-ZETCQYMHSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2,5-dihydrothiophene?
The IUPAC name of (2S)-2-tert-butyl-2,5-dihydrothiophene (CID 71423925) is (2S)-2-tert-butyl-2,5-dihydrothiophene.
What is the SMILES notation for (2S)-2-tert-butyl-2,5-dihydrothiophene?
The canonical SMILES for (2S)-2-tert-butyl-2,5-dihydrothiophene is CC(C)(C)[C@@H]1C=CCS1.
What is the InChIKey of (2S)-2-tert-butyl-2,5-dihydrothiophene?
The InChIKey is YDLBKYSREPRKSB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-2,5-dihydrothiophene?
(2S)-2-tert-butyl-2,5-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2,5-dihydrothiophene is sourced from PubChem (CID 71423925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).