cyclohexane;methylsulfinylmethane

C10H24O2S2 — CID 69400412

IUPACcyclohexane;methylsulfinylmethane
SMILESC1CCCCC1.CS(C)=O.CS(C)=O
InChIInChI=1S/C6H12.2C2H6OS/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H2;2*1-2H3
InChIKeyMRLYJBYZEUMYEI-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.33
Rot. Bonds

About cyclohexane;methylsulfinylmethane

cyclohexane;methylsulfinylmethane (PubChem CID 69400412) has the molecular formula C10H24O2S2 and a molecular weight of 240.43 g/mol. Its IUPAC name is cyclohexane;methylsulfinylmethane.

Molecular Properties

Compound Namecyclohexane;methylsulfinylmethane
PubChem CID69400412
Molecular FormulaC10H24O2S2
Molecular Weight240.43 g/mol
Exact Mass240.12
IUPAC Namecyclohexane;methylsulfinylmethane
SMILESC1CCCCC1.CS(C)=O.CS(C)=O
InChIInChI=1S/C6H12.2C2H6OS/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H2;2*1-2H3
InChIKeyMRLYJBYZEUMYEI-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexane;methylsulfinylmethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexane;methylsulfinylmethane?
The IUPAC name of cyclohexane;methylsulfinylmethane (CID 69400412) is cyclohexane;methylsulfinylmethane.
What is the SMILES notation for cyclohexane;methylsulfinylmethane?
The canonical SMILES for cyclohexane;methylsulfinylmethane is C1CCCCC1.CS(C)=O.CS(C)=O.
What is the InChIKey of cyclohexane;methylsulfinylmethane?
The InChIKey is MRLYJBYZEUMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C2H6OS/c1-2-4-6-5-3-1;2*1-4(2)3/h1-6H2;2*1-2H3.
What are the key properties of cyclohexane;methylsulfinylmethane?
cyclohexane;methylsulfinylmethane has a molecular weight of 240.43 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methylsulfinylmethane is sourced from PubChem (CID 69400412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).