2-cyclobutylethyl 2-sulfanylacetate

C8H14O2S — CID 106208012

IUPAC2-cyclobutylethyl 2-sulfanylacetate
SMILESO=C(CS)OCCC1CCC1
InChIInChI=1S/C8H14O2S/c9-8(6-11)10-5-4-7-2-1-3-7/h7,11H,1-6H2
InChIKeyIAKGIAQGYLGCDM-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.65
Rot. Bonds4

About 2-cyclobutylethyl 2-sulfanylacetate

2-cyclobutylethyl 2-sulfanylacetate (PubChem CID 106208012) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-cyclobutylethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-cyclobutylethyl 2-sulfanylacetate
PubChem CID106208012
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-cyclobutylethyl 2-sulfanylacetate
SMILESO=C(CS)OCCC1CCC1
InChIInChI=1S/C8H14O2S/c9-8(6-11)10-5-4-7-2-1-3-7/h7,11H,1-6H2
InChIKeyIAKGIAQGYLGCDM-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
2-cyclopentylethyl butanoate
CID 142409115
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
propyl 3-cyclopentylpropanoate
CID 43389546

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 2-sulfanylacetate?
The IUPAC name of 2-cyclobutylethyl 2-sulfanylacetate (CID 106208012) is 2-cyclobutylethyl 2-sulfanylacetate.
What is the SMILES notation for 2-cyclobutylethyl 2-sulfanylacetate?
The canonical SMILES for 2-cyclobutylethyl 2-sulfanylacetate is O=C(CS)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 2-sulfanylacetate?
The InChIKey is IAKGIAQGYLGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c9-8(6-11)10-5-4-7-2-1-3-7/h7,11H,1-6H2.
What are the key properties of 2-cyclobutylethyl 2-sulfanylacetate?
2-cyclobutylethyl 2-sulfanylacetate has a molecular weight of 174.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 2-sulfanylacetate is sourced from PubChem (CID 106208012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).