O-(2-cyclohexylethyl) ethanethioate

C10H18OS — CID 101381755

IUPACO-(2-cyclohexylethyl) ethanethioate
SMILESCC(=S)OCCC1CCCCC1
InChIInChI=1S/C10H18OS/c1-9(12)11-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyHSLCYBXVGUVZLA-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.32
Rot. Bonds3

About O-(2-cyclohexylethyl) ethanethioate

O-(2-cyclohexylethyl) ethanethioate (PubChem CID 101381755) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is O-(2-cyclohexylethyl) ethanethioate.

Molecular Properties

Compound NameO-(2-cyclohexylethyl) ethanethioate
PubChem CID101381755
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC NameO-(2-cyclohexylethyl) ethanethioate
SMILESCC(=S)OCCC1CCCCC1
InChIInChI=1S/C10H18OS/c1-9(12)11-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyHSLCYBXVGUVZLA-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethyl 2-iodopropanoate
CID 155660085
2-cyclohexylethyl carbonochloridate
CID 19994353
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-propan-2-yloxyethylcycloheptane
CID 123201160
2-cyclopentylethyl butanoate
CID 142409115
1-(2-cyclohexylethoxy)-1-ethylhydrazine
CID 57078186
2-(2-cyclobutylethoxy)butanethioamide
CID 106201819
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827

Frequently Asked Questions

What is the IUPAC name of O-(2-cyclohexylethyl) ethanethioate?
The IUPAC name of O-(2-cyclohexylethyl) ethanethioate (CID 101381755) is O-(2-cyclohexylethyl) ethanethioate.
What is the SMILES notation for O-(2-cyclohexylethyl) ethanethioate?
The canonical SMILES for O-(2-cyclohexylethyl) ethanethioate is CC(=S)OCCC1CCCCC1.
What is the InChIKey of O-(2-cyclohexylethyl) ethanethioate?
The InChIKey is HSLCYBXVGUVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(12)11-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of O-(2-cyclohexylethyl) ethanethioate?
O-(2-cyclohexylethyl) ethanethioate has a molecular weight of 186.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-cyclohexylethyl) ethanethioate is sourced from PubChem (CID 101381755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).