(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium

C10H19OS+ — CID 18547456

IUPAC(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium
SMILESC[S+](C)CC(=O)C1CCCCC1
InChIInChI=1S/C10H19OS/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/q+1
InChIKeyYWPJYHLEXZMUPH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.01
Rot. Bonds3

About (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium

(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium (PubChem CID 18547456) has the molecular formula C10H19OS+ and a molecular weight of 187.33 g/mol. Its IUPAC name is (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium.

Molecular Properties

Compound Name(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium
PubChem CID18547456
Molecular FormulaC10H19OS+
Molecular Weight187.33 g/mol
Exact Mass187.12
IUPAC Name(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium
SMILESC[S+](C)CC(=O)C1CCCCC1
InChIInChI=1S/C10H19OS/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/q+1
InChIKeyYWPJYHLEXZMUPH-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium?
The IUPAC name of (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium (CID 18547456) is (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium.
What is the SMILES notation for (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium?
The canonical SMILES for (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium is C[S+](C)CC(=O)C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium?
The InChIKey is YWPJYHLEXZMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19OS/c1-12(2)8-10(11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/q+1.
What are the key properties of (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium?
(2-cyclohexyl-2-oxoethyl)-dimethylsulfanium has a molecular weight of 187.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-oxoethyl)-dimethylsulfanium is sourced from PubChem (CID 18547456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).