1-methylsulfinylcyclohexene

C7H12OS — CID 67230416

IUPAC1-methylsulfinylcyclohexene
SMILESCS(=O)C1=CCCCC1
InChIInChI=1S/C7H12OS/c1-9(8)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKeyKUIHOIOLYPFQIX-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.82
Rot. Bonds1

About 1-methylsulfinylcyclohexene

1-methylsulfinylcyclohexene (PubChem CID 67230416) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-methylsulfinylcyclohexene.

Molecular Properties

Compound Name1-methylsulfinylcyclohexene
PubChem CID67230416
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-methylsulfinylcyclohexene
SMILESCS(=O)C1=CCCCC1
InChIInChI=1S/C7H12OS/c1-9(8)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKeyKUIHOIOLYPFQIX-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylcyclohexene?
The IUPAC name of 1-methylsulfinylcyclohexene (CID 67230416) is 1-methylsulfinylcyclohexene.
What is the SMILES notation for 1-methylsulfinylcyclohexene?
The canonical SMILES for 1-methylsulfinylcyclohexene is CS(=O)C1=CCCCC1.
What is the InChIKey of 1-methylsulfinylcyclohexene?
The InChIKey is KUIHOIOLYPFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-9(8)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3.
What are the key properties of 1-methylsulfinylcyclohexene?
1-methylsulfinylcyclohexene has a molecular weight of 144.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylcyclohexene is sourced from PubChem (CID 67230416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).