3-(methylsulfanylmethyl)cyclobutan-1-ol

C6H12OS — CID 155820622

IUPAC3-(methylsulfanylmethyl)cyclobutan-1-ol
SMILESCSCC1CC(O)C1
InChIInChI=1S/C6H12OS/c1-8-4-5-2-6(7)3-5/h5-7H,2-4H2,1H3
InChIKeyAXGMXVWSKJFEAB-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds2

About 3-(methylsulfanylmethyl)cyclobutan-1-ol

3-(methylsulfanylmethyl)cyclobutan-1-ol (PubChem CID 155820622) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)cyclobutan-1-ol
PubChem CID155820622
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-(methylsulfanylmethyl)cyclobutan-1-ol
SMILESCSCC1CC(O)C1
InChIInChI=1S/C6H12OS/c1-8-4-5-2-6(7)3-5/h5-7H,2-4H2,1H3
InChIKeyAXGMXVWSKJFEAB-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)cyclobutan-1-ol?
The IUPAC name of 3-(methylsulfanylmethyl)cyclobutan-1-ol (CID 155820622) is 3-(methylsulfanylmethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(methylsulfanylmethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(methylsulfanylmethyl)cyclobutan-1-ol is CSCC1CC(O)C1.
What is the InChIKey of 3-(methylsulfanylmethyl)cyclobutan-1-ol?
The InChIKey is AXGMXVWSKJFEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-4-5-2-6(7)3-5/h5-7H,2-4H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)cyclobutan-1-ol?
3-(methylsulfanylmethyl)cyclobutan-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)cyclobutan-1-ol is sourced from PubChem (CID 155820622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).