ethane;2-ethyl-4-methylthiophene

C9H16S — CID 144673037

IUPACethane;2-ethyl-4-methylthiophene
SMILESCC.CCc1cc(C)cs1
InChIInChI=1S/C7H10S.C2H6/c1-3-7-4-6(2)5-8-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyBQNNDKSTNWYSDR-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.65
Rot. Bonds1

About ethane;2-ethyl-4-methylthiophene

ethane;2-ethyl-4-methylthiophene (PubChem CID 144673037) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is ethane;2-ethyl-4-methylthiophene.

Molecular Properties

Compound Nameethane;2-ethyl-4-methylthiophene
PubChem CID144673037
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Nameethane;2-ethyl-4-methylthiophene
SMILESCC.CCc1cc(C)cs1
InChIInChI=1S/C7H10S.C2H6/c1-3-7-4-6(2)5-8-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyBQNNDKSTNWYSDR-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methylthiophene?
The IUPAC name of ethane;2-ethyl-4-methylthiophene (CID 144673037) is ethane;2-ethyl-4-methylthiophene.
What is the SMILES notation for ethane;2-ethyl-4-methylthiophene?
The canonical SMILES for ethane;2-ethyl-4-methylthiophene is CC.CCc1cc(C)cs1.
What is the InChIKey of ethane;2-ethyl-4-methylthiophene?
The InChIKey is BQNNDKSTNWYSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.C2H6/c1-3-7-4-6(2)5-8-7;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-methylthiophene?
ethane;2-ethyl-4-methylthiophene has a molecular weight of 156.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methylthiophene is sourced from PubChem (CID 144673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).