S-cyclobutyl ethanethioate

C6H10OS — CID 91113271

IUPACS-cyclobutyl ethanethioate
SMILESCC(=O)SC1CCC1
InChIInChI=1S/C6H10OS/c1-5(7)8-6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyUHDMOVJOCCJDLD-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.82
Rot. Bonds1

About S-cyclobutyl ethanethioate

S-cyclobutyl ethanethioate (PubChem CID 91113271) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is S-cyclobutyl ethanethioate.

Molecular Properties

Compound NameS-cyclobutyl ethanethioate
PubChem CID91113271
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC NameS-cyclobutyl ethanethioate
SMILESCC(=O)SC1CCC1
InChIInChI=1S/C6H10OS/c1-5(7)8-6-3-2-4-6/h6H,2-4H2,1H3
InChIKeyUHDMOVJOCCJDLD-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-cyclobutyl ethanethioate?
The IUPAC name of S-cyclobutyl ethanethioate (CID 91113271) is S-cyclobutyl ethanethioate.
What is the SMILES notation for S-cyclobutyl ethanethioate?
The canonical SMILES for S-cyclobutyl ethanethioate is CC(=O)SC1CCC1.
What is the InChIKey of S-cyclobutyl ethanethioate?
The InChIKey is UHDMOVJOCCJDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5(7)8-6-3-2-4-6/h6H,2-4H2,1H3.
What are the key properties of S-cyclobutyl ethanethioate?
S-cyclobutyl ethanethioate has a molecular weight of 130.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-cyclobutyl ethanethioate is sourced from PubChem (CID 91113271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).