[1-(methylsulfanylmethyl)cyclobutyl]methanol

C7H14OS — CID 139383517

IUPAC[1-(methylsulfanylmethyl)cyclobutyl]methanol
SMILESCSCC1(CO)CCC1
InChIInChI=1S/C7H14OS/c1-9-6-7(5-8)3-2-4-7/h8H,2-6H2,1H3
InChIKeyKONRQKWKYRODPX-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds3

About [1-(methylsulfanylmethyl)cyclobutyl]methanol

[1-(methylsulfanylmethyl)cyclobutyl]methanol (PubChem CID 139383517) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is [1-(methylsulfanylmethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(methylsulfanylmethyl)cyclobutyl]methanol
PubChem CID139383517
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name[1-(methylsulfanylmethyl)cyclobutyl]methanol
SMILESCSCC1(CO)CCC1
InChIInChI=1S/C7H14OS/c1-9-6-7(5-8)3-2-4-7/h8H,2-6H2,1H3
InChIKeyKONRQKWKYRODPX-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 [1-(methylsulfanylmethyl)cyclobutyl]methanol?
The IUPAC name of [1-(methylsulfanylmethyl)cyclobutyl]methanol (CID 139383517) is [1-(methylsulfanylmethyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(methylsulfanylmethyl)cyclobutyl]methanol?
The canonical SMILES for [1-(methylsulfanylmethyl)cyclobutyl]methanol is CSCC1(CO)CCC1.
What is the InChIKey of [1-(methylsulfanylmethyl)cyclobutyl]methanol?
The InChIKey is KONRQKWKYRODPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9-6-7(5-8)3-2-4-7/h8H,2-6H2,1H3.
What are the key properties of [1-(methylsulfanylmethyl)cyclobutyl]methanol?
[1-(methylsulfanylmethyl)cyclobutyl]methanol 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 [1-(methylsulfanylmethyl)cyclobutyl]methanol is sourced from PubChem (CID 139383517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).