5-methyl-2-propan-2-yl-2,3-dihydrothiophene

C8H14S — CID 12596207

IUPAC5-methyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)C)S1
InChIInChI=1S/C8H14S/c1-6(2)8-5-4-7(3)9-8/h4,6,8H,5H2,1-3H3
InChIKeyYDMBCSGPAASVMZ-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.05
Rot. Bonds1

About 5-methyl-2-propan-2-yl-2,3-dihydrothiophene

5-methyl-2-propan-2-yl-2,3-dihydrothiophene (PubChem CID 12596207) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-2,3-dihydrothiophene
PubChem CID12596207
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name5-methyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)C)S1
InChIInChI=1S/C8H14S/c1-6(2)8-5-4-7(3)9-8/h4,6,8H,5H2,1-3H3
InChIKeyYDMBCSGPAASVMZ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

2-Thiabicyclo[2.2.1]hept-5-ene
CID 13429910
5-Butyl-2,3-dihydrothiophene
CID 11062496
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
5-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 13360337
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
1-Butylsulfanylcyclopentene
CID 134985704
3-(2-Fluoropentyl)-5-methyl-2,3-dihydrothiophene
CID 137417226
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135
(2S,3R)-2-[(E)-2-fluoroethenyl]-3,4,5-trimethyl-2,3-dihydrothiophene
CID 164114816
(3R)-2-[(S)-fluoro(methylsulfanyl)methyl]-3,5-dimethyl-2,3-dihydrothiophene
CID 173989263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 5-methyl-2-propan-2-yl-2,3-dihydrothiophene (CID 12596207) is 5-methyl-2-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 5-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 5-methyl-2-propan-2-yl-2,3-dihydrothiophene is CC1=CCC(C(C)C)S1.
What is the InChIKey of 5-methyl-2-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is YDMBCSGPAASVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6(2)8-5-4-7(3)9-8/h4,6,8H,5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-2,3-dihydrothiophene?
5-methyl-2-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 12596207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).