4-ethyl-2-propan-2-yl-2,3-dihydrothiophene

C9H16S — CID 143502220

IUPAC4-ethyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=CSC(C(C)C)C1
InChIInChI=1S/C9H16S/c1-4-8-5-9(7(2)3)10-6-8/h6-7,9H,4-5H2,1-3H3
InChIKeyWGXARSFNFOTTNM-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds2

About 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene

4-ethyl-2-propan-2-yl-2,3-dihydrothiophene (PubChem CID 143502220) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-2,3-dihydrothiophene
PubChem CID143502220
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name4-ethyl-2-propan-2-yl-2,3-dihydrothiophene
SMILESCCC1=CSC(C(C)C)C1
InChIInChI=1S/C9H16S/c1-4-8-5-9(7(2)3)10-6-8/h6-7,9H,4-5H2,1-3H3
InChIKeyWGXARSFNFOTTNM-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The IUPAC name of 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene (CID 143502220) is 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene is CCC1=CSC(C(C)C)C1.
What is the InChIKey of 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
The InChIKey is WGXARSFNFOTTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-4-8-5-9(7(2)3)10-6-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene?
4-ethyl-2-propan-2-yl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 143502220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).