cyclohexanesulfinic acid

C6H12O2S — CID 3302189

IUPACcyclohexanesulfinic acid
SMILESO=S(O)C1CCCCC1
InChIInChI=1S/C6H12O2S/c7-9(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8)
InChIKeyRVAUVEOTZNLMQL-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.54
Rot. Bonds1

About cyclohexanesulfinic acid

cyclohexanesulfinic acid (PubChem CID 3302189) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is cyclohexanesulfinic acid.

Molecular Properties

Compound Namecyclohexanesulfinic acid
PubChem CID3302189
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namecyclohexanesulfinic acid
SMILESO=S(O)C1CCCCC1
InChIInChI=1S/C6H12O2S/c7-9(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8)
InChIKeyRVAUVEOTZNLMQL-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexanesulfinic acid?
The IUPAC name of cyclohexanesulfinic acid (CID 3302189) is cyclohexanesulfinic acid.
What is the SMILES notation for cyclohexanesulfinic acid?
The canonical SMILES for cyclohexanesulfinic acid is O=S(O)C1CCCCC1.
What is the InChIKey of cyclohexanesulfinic acid?
The InChIKey is RVAUVEOTZNLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c7-9(8)6-4-2-1-3-5-6/h6H,1-5H2,(H,7,8).
What are the key properties of cyclohexanesulfinic acid?
cyclohexanesulfinic acid has a molecular weight of 148.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanesulfinic acid is sourced from PubChem (CID 3302189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).