ethane;2-methoxy-5-methylthiophene

C8H14OS — CID 143581599

IUPACethane;2-methoxy-5-methylthiophene
SMILESCC.COc1ccc(C)s1
InChIInChI=1S/C6H8OS.C2H6/c1-5-3-4-6(7-2)8-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyXEKSETJSVDDFNP-UHFFFAOYSA-N
MW158.27 g/mol
LogP3.09
Rot. Bonds1

About ethane;2-methoxy-5-methylthiophene

ethane;2-methoxy-5-methylthiophene (PubChem CID 143581599) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is ethane;2-methoxy-5-methylthiophene.

Molecular Properties

Compound Nameethane;2-methoxy-5-methylthiophene
PubChem CID143581599
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Nameethane;2-methoxy-5-methylthiophene
SMILESCC.COc1ccc(C)s1
InChIInChI=1S/C6H8OS.C2H6/c1-5-3-4-6(7-2)8-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyXEKSETJSVDDFNP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-5-methylthiophene?
The IUPAC name of ethane;2-methoxy-5-methylthiophene (CID 143581599) is ethane;2-methoxy-5-methylthiophene.
What is the SMILES notation for ethane;2-methoxy-5-methylthiophene?
The canonical SMILES for ethane;2-methoxy-5-methylthiophene is CC.COc1ccc(C)s1.
What is the InChIKey of ethane;2-methoxy-5-methylthiophene?
The InChIKey is XEKSETJSVDDFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS.C2H6/c1-5-3-4-6(7-2)8-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-5-methylthiophene?
ethane;2-methoxy-5-methylthiophene has a molecular weight of 158.27 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-5-methylthiophene is sourced from PubChem (CID 143581599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).