cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane

C14H26OS2 — CID 174718309

IUPACcyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
SMILESC1CCC(CSOSCC2CCCCC2)CC1
InChIInChI=1S/C14H26OS2/c1-3-7-13(8-4-1)11-16-15-17-12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyLWUGKPFKECFJEC-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.46
Rot. Bonds6

About cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane

cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane (PubChem CID 174718309) has the molecular formula C14H26OS2 and a molecular weight of 274.49 g/mol. Its IUPAC name is cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane.

Molecular Properties

Compound Namecyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
PubChem CID174718309
Molecular FormulaC14H26OS2
Molecular Weight274.49 g/mol
Exact Mass274.14
IUPAC Namecyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
SMILESC1CCC(CSOSCC2CCCCC2)CC1
InChIInChI=1S/C14H26OS2/c1-3-7-13(8-4-1)11-16-15-17-12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyLWUGKPFKECFJEC-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylsulfanylmethylcyclohexane;propane
CID 90890228
nitrososulfanylmethylcyclohexane
CID 90392555
cyclopentadecylmethylcyclopentadecane
CID 91804599
(cyclopentyldisulfanyl)methylcyclopentane
CID 129169499
but-2-en-2-ylsulfanylmethylcyclohexane
CID 91299244
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
methylsulfanyloxymethylcyclohexane
CID 70222549
3-(cyclopentylmethylsulfanyl)azetidine
CID 63120225
ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane
CID 176708755
N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
CID 63119889
cyclohexylmethyl(methyl)azanide
CID 54694435
tert-butylsulfanylmethylcyclohexane;N-(cyclohexylmethyl)-2-methylpropan-2-amine;N-(cyclopropylmethyl)-2-methylpropan-2-amine
CID 161245783

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane?
The IUPAC name of cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane (CID 174718309) is cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane.
What is the SMILES notation for cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane?
The canonical SMILES for cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane is C1CCC(CSOSCC2CCCCC2)CC1.
What is the InChIKey of cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane?
The InChIKey is LWUGKPFKECFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS2/c1-3-7-13(8-4-1)11-16-15-17-12-14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane?
cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane has a molecular weight of 274.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane is sourced from PubChem (CID 174718309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).