3-cyclohexyl-4-methylthiophene 1-oxide

C11H16OS — CID 69092815

IUPAC3-cyclohexyl-4-methylthiophene 1-oxide
SMILESCC1=CS(=O)C=C1C1CCCCC1
InChIInChI=1S/C11H16OS/c1-9-7-13(12)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyBDISUABSGCFBLS-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.12
Rot. Bonds1

About 3-cyclohexyl-4-methylthiophene 1-oxide

3-cyclohexyl-4-methylthiophene 1-oxide (PubChem CID 69092815) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 3-cyclohexyl-4-methylthiophene 1-oxide.

Molecular Properties

Compound Name3-cyclohexyl-4-methylthiophene 1-oxide
PubChem CID69092815
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name3-cyclohexyl-4-methylthiophene 1-oxide
SMILESCC1=CS(=O)C=C1C1CCCCC1
InChIInChI=1S/C11H16OS/c1-9-7-13(12)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyBDISUABSGCFBLS-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methylthiophene 1-oxide?
The IUPAC name of 3-cyclohexyl-4-methylthiophene 1-oxide (CID 69092815) is 3-cyclohexyl-4-methylthiophene 1-oxide.
What is the SMILES notation for 3-cyclohexyl-4-methylthiophene 1-oxide?
The canonical SMILES for 3-cyclohexyl-4-methylthiophene 1-oxide is CC1=CS(=O)C=C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methylthiophene 1-oxide?
The InChIKey is BDISUABSGCFBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-7-13(12)8-11(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-4-methylthiophene 1-oxide?
3-cyclohexyl-4-methylthiophene 1-oxide has a molecular weight of 196.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methylthiophene 1-oxide is sourced from PubChem (CID 69092815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).