cyclohexylsulfanyl(methylsulfanyl)methanone

C8H14OS2 — CID 14381898

IUPACcyclohexylsulfanyl(methylsulfanyl)methanone
SMILESCSC(=O)SC1CCCCC1
InChIInChI=1S/C8H14OS2/c1-10-8(9)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeySLUFNRWNIHMFON-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.54
Rot. Bonds1

About cyclohexylsulfanyl(methylsulfanyl)methanone

cyclohexylsulfanyl(methylsulfanyl)methanone (PubChem CID 14381898) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is cyclohexylsulfanyl(methylsulfanyl)methanone.

Molecular Properties

Compound Namecyclohexylsulfanyl(methylsulfanyl)methanone
PubChem CID14381898
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Namecyclohexylsulfanyl(methylsulfanyl)methanone
SMILESCSC(=O)SC1CCCCC1
InChIInChI=1S/C8H14OS2/c1-10-8(9)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeySLUFNRWNIHMFON-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanyl(methylsulfanyl)methanone?
The IUPAC name of cyclohexylsulfanyl(methylsulfanyl)methanone (CID 14381898) is cyclohexylsulfanyl(methylsulfanyl)methanone.
What is the SMILES notation for cyclohexylsulfanyl(methylsulfanyl)methanone?
The canonical SMILES for cyclohexylsulfanyl(methylsulfanyl)methanone is CSC(=O)SC1CCCCC1.
What is the InChIKey of cyclohexylsulfanyl(methylsulfanyl)methanone?
The InChIKey is SLUFNRWNIHMFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-10-8(9)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of cyclohexylsulfanyl(methylsulfanyl)methanone?
cyclohexylsulfanyl(methylsulfanyl)methanone has a molecular weight of 190.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanyl(methylsulfanyl)methanone is sourced from PubChem (CID 14381898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).