ethane;2-methylfuran;2-methylthiophene

C12H18OS — CID 143639755

IUPACethane;2-methylfuran;2-methylthiophene
SMILESCC.Cc1ccco1.Cc1cccs1
InChIInChI=1S/C5H6O.C5H6S.C2H6/c2*1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3
InChIKeyCIGHDUUECUWGDC-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.67
Rot. Bonds

About ethane;2-methylfuran;2-methylthiophene

ethane;2-methylfuran;2-methylthiophene (PubChem CID 143639755) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is ethane;2-methylfuran;2-methylthiophene.

Molecular Properties

Compound Nameethane;2-methylfuran;2-methylthiophene
PubChem CID143639755
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Nameethane;2-methylfuran;2-methylthiophene
SMILESCC.Cc1ccco1.Cc1cccs1
InChIInChI=1S/C5H6O.C5H6S.C2H6/c2*1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3
InChIKeyCIGHDUUECUWGDC-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;2-methylthiophene?
The IUPAC name of ethane;2-methylfuran;2-methylthiophene (CID 143639755) is ethane;2-methylfuran;2-methylthiophene.
What is the SMILES notation for ethane;2-methylfuran;2-methylthiophene?
The canonical SMILES for ethane;2-methylfuran;2-methylthiophene is CC.Cc1ccco1.Cc1cccs1.
What is the InChIKey of ethane;2-methylfuran;2-methylthiophene?
The InChIKey is CIGHDUUECUWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C5H6S.C2H6/c2*1-5-3-2-4-6-5;1-2/h2*2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methylfuran;2-methylthiophene?
ethane;2-methylfuran;2-methylthiophene has a molecular weight of 210.34 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;2-methylthiophene is sourced from PubChem (CID 143639755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).