ethane;2-methylthiophene

C11H24S — CID 90990568

IUPACethane;2-methylthiophene
SMILESCC.CC.CC.Cc1cccs1
InChIInChI=1S/C5H6S.3C2H6/c1-5-3-2-4-6-5;3*1-2/h2-4H,1H3;3*1-2H3
InChIKeyXRDRGMLBEGDIHM-UHFFFAOYSA-N
MW188.38 g/mol
LogP5.14
Rot. Bonds

About ethane;2-methylthiophene

ethane;2-methylthiophene (PubChem CID 90990568) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is ethane;2-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylthiophene
PubChem CID90990568
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Nameethane;2-methylthiophene
SMILESCC.CC.CC.Cc1cccs1
InChIInChI=1S/C5H6S.3C2H6/c1-5-3-2-4-6-5;3*1-2/h2-4H,1H3;3*1-2H3
InChIKeyXRDRGMLBEGDIHM-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylthiophene?
The IUPAC name of ethane;2-methylthiophene (CID 90990568) is ethane;2-methylthiophene.
What is the SMILES notation for ethane;2-methylthiophene?
The canonical SMILES for ethane;2-methylthiophene is CC.CC.CC.Cc1cccs1.
What is the InChIKey of ethane;2-methylthiophene?
The InChIKey is XRDRGMLBEGDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.3C2H6/c1-5-3-2-4-6-5;3*1-2/h2-4H,1H3;3*1-2H3.
What are the key properties of ethane;2-methylthiophene?
ethane;2-methylthiophene has a molecular weight of 188.38 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylthiophene is sourced from PubChem (CID 90990568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).