cyclohexyl methanesulfinate

C7H14O2S — CID 71339212

IUPACcyclohexyl methanesulfinate
SMILESCS(=O)OC1CCCCC1
InChIInChI=1S/C7H14O2S/c1-10(8)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyUYXKOGPKSZSLHL-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.63
Rot. Bonds2

About cyclohexyl methanesulfinate

cyclohexyl methanesulfinate (PubChem CID 71339212) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is cyclohexyl methanesulfinate.

Molecular Properties

Compound Namecyclohexyl methanesulfinate
PubChem CID71339212
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Namecyclohexyl methanesulfinate
SMILESCS(=O)OC1CCCCC1
InChIInChI=1S/C7H14O2S/c1-10(8)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyUYXKOGPKSZSLHL-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl methanesulfinate?
The IUPAC name of cyclohexyl methanesulfinate (CID 71339212) is cyclohexyl methanesulfinate.
What is the SMILES notation for cyclohexyl methanesulfinate?
The canonical SMILES for cyclohexyl methanesulfinate is CS(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl methanesulfinate?
The InChIKey is UYXKOGPKSZSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-10(8)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of cyclohexyl methanesulfinate?
cyclohexyl methanesulfinate has a molecular weight of 162.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl methanesulfinate is sourced from PubChem (CID 71339212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).