cyclohexylsulfonylsulfanylcyclohexane

C12H22O2S2 — CID 11161342

IUPACcyclohexylsulfonylsulfanylcyclohexane
SMILESO=S(=O)(SC1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h11-12H,1-10H2
InChIKeyNIOQDEUXWUWWGF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds3

About cyclohexylsulfonylsulfanylcyclohexane

cyclohexylsulfonylsulfanylcyclohexane (PubChem CID 11161342) has the molecular formula C12H22O2S2 and a molecular weight of 262.44 g/mol. Its IUPAC name is cyclohexylsulfonylsulfanylcyclohexane.

Molecular Properties

Compound Namecyclohexylsulfonylsulfanylcyclohexane
PubChem CID11161342
Molecular FormulaC12H22O2S2
Molecular Weight262.44 g/mol
Exact Mass262.11
IUPAC Namecyclohexylsulfonylsulfanylcyclohexane
SMILESO=S(=O)(SC1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h11-12H,1-10H2
InChIKeyNIOQDEUXWUWWGF-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfonylsulfanylcyclohexane?
The IUPAC name of cyclohexylsulfonylsulfanylcyclohexane (CID 11161342) is cyclohexylsulfonylsulfanylcyclohexane.
What is the SMILES notation for cyclohexylsulfonylsulfanylcyclohexane?
The canonical SMILES for cyclohexylsulfonylsulfanylcyclohexane is O=S(=O)(SC1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexylsulfonylsulfanylcyclohexane?
The InChIKey is NIOQDEUXWUWWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S2/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h11-12H,1-10H2.
What are the key properties of cyclohexylsulfonylsulfanylcyclohexane?
cyclohexylsulfonylsulfanylcyclohexane has a molecular weight of 262.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfonylsulfanylcyclohexane is sourced from PubChem (CID 11161342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).