2-tert-butyl-2,3-dihydrothiophene

C8H14S — CID 58312073

IUPAC2-tert-butyl-2,3-dihydrothiophene
SMILESCC(C)(C)C1CC=CS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4,6-7H,5H2,1-3H3
InChIKeySTRJGEQBWSHXKN-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds

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

2-tert-butyl-2,3-dihydrothiophene (PubChem CID 58312073) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-tert-butyl-2,3-dihydrothiophene
PubChem CID58312073
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-tert-butyl-2,3-dihydrothiophene
SMILESCC(C)(C)C1CC=CS1
InChIInChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4,6-7H,5H2,1-3H3
InChIKeySTRJGEQBWSHXKN-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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Related Compounds

3,3-Dimethyl-4-[(propan-2-yl)sulfanyl]hexa-1,5-diene
CID 13263818
2-(2-Methylbut-3-en-2-yl)thiolane
CID 21573817
2,2-ditert-butyl-3H-thiophene
CID 12386075
3-(2,2-dimethylpropyl)-3H-dithiole
CID 18474675
3-(4,4-Dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
CID 19043507
3-(2-Methylpropyl)-2,3-dihydrothiophene
CID 57025719
2,2-dimethyl-3H-thiophene
CID 57111226
2,3-Diethyl-2,3-dihydrothiophene
CID 57188312
3-Propyl-2,3-dihydrothiophene
CID 57228510
3-Butyl-2,3-dihydrothiophene
CID 57240423
2-Methylsulfanyl-3-propyl-2,3-dihydrothiophene
CID 57251441
3-(3,3-Dimethylbutan-2-ylsulfanyl)-4,4-dimethylpent-1-ene
CID 57660039

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydrothiophene?
The IUPAC name of 2-tert-butyl-2,3-dihydrothiophene (CID 58312073) is 2-tert-butyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-tert-butyl-2,3-dihydrothiophene?
The canonical SMILES for 2-tert-butyl-2,3-dihydrothiophene is CC(C)(C)C1CC=CS1.
What is the InChIKey of 2-tert-butyl-2,3-dihydrothiophene?
The InChIKey is STRJGEQBWSHXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-tert-butyl-2,3-dihydrothiophene?
2-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 2-tert-butyl-2,3-dihydrothiophene is sourced from PubChem (CID 58312073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).