3-(2-methylsulfanylethyl)cyclobutan-1-ol

C7H14OS — CID 155820741

IUPAC3-(2-methylsulfanylethyl)cyclobutan-1-ol
SMILESCSCCC1CC(O)C1
InChIInChI=1S/C7H14OS/c1-9-3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyJLZMCHHDYBXMSU-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds3

About 3-(2-methylsulfanylethyl)cyclobutan-1-ol

3-(2-methylsulfanylethyl)cyclobutan-1-ol (PubChem CID 155820741) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)cyclobutan-1-ol
PubChem CID155820741
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-(2-methylsulfanylethyl)cyclobutan-1-ol
SMILESCSCCC1CC(O)C1
InChIInChI=1S/C7H14OS/c1-9-3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKeyJLZMCHHDYBXMSU-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)cyclobutan-1-ol?
The IUPAC name of 3-(2-methylsulfanylethyl)cyclobutan-1-ol (CID 155820741) is 3-(2-methylsulfanylethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-methylsulfanylethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(2-methylsulfanylethyl)cyclobutan-1-ol is CSCCC1CC(O)C1.
What is the InChIKey of 3-(2-methylsulfanylethyl)cyclobutan-1-ol?
The InChIKey is JLZMCHHDYBXMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9-3-2-6-4-7(8)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)cyclobutan-1-ol?
3-(2-methylsulfanylethyl)cyclobutan-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)cyclobutan-1-ol is sourced from PubChem (CID 155820741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).