cyclohexane;methylsulfinylmethane

C8H18OS — CID 19850497

IUPACcyclohexane;methylsulfinylmethane
SMILESC1CCCCC1.CS(C)=O
InChIInChI=1S/C6H12.C2H6OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H2;1-2H3
InChIKeyWVWQAFYJEIGOCN-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.34
Rot. Bonds

About cyclohexane;methylsulfinylmethane

cyclohexane;methylsulfinylmethane (PubChem CID 19850497) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is cyclohexane;methylsulfinylmethane.

Molecular Properties

Compound Namecyclohexane;methylsulfinylmethane
PubChem CID19850497
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Namecyclohexane;methylsulfinylmethane
SMILESC1CCCCC1.CS(C)=O
InChIInChI=1S/C6H12.C2H6OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H2;1-2H3
InChIKeyWVWQAFYJEIGOCN-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;methylsulfinylmethane?
The IUPAC name of cyclohexane;methylsulfinylmethane (CID 19850497) is cyclohexane;methylsulfinylmethane.
What is the SMILES notation for cyclohexane;methylsulfinylmethane?
The canonical SMILES for cyclohexane;methylsulfinylmethane is C1CCCCC1.CS(C)=O.
What is the InChIKey of cyclohexane;methylsulfinylmethane?
The InChIKey is WVWQAFYJEIGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H6OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H2;1-2H3.
What are the key properties of cyclohexane;methylsulfinylmethane?
cyclohexane;methylsulfinylmethane has a molecular weight of 162.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methylsulfinylmethane is sourced from PubChem (CID 19850497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).